643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5,6a]	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5,6a]N[6a])(C[5]C[5]O)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[5,6a]N[6a])(C[5]C[5]O)2{1|N<3>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	123.9560	0.000	1	123.9560	0.000	1	123.9560	0.000	1	123.9560	0.000	1	122.0160	12.199	9	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a]){1|N<2>,2|H<1>,4|C<3>}	119.4305	0.415	2	119.4305	0.172	2	119.4305	0.172	2	119.4305	0.172	2	122.0160	12.199	9	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5]){3|C<3>,6|H<1>}	120.4060	0.000	1	120.4060	0.000	1	120.0203	0.487	4	120.0203	0.487	4	122.0160	12.199	9	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5]){3|C<3>,6|H<1>}	119.8917	0.795	3	119.8917	0.632	3	120.0203	0.487	4	120.0203	0.487	4	122.0160	12.199	9	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	127.6230	0.130	2	127.6230	0.017	2	127.6230	0.017	2	127.6230	0.017	2	122.0160	12.199	9	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:2:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5,6]O)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5,6]O)2{1|N<2>,2|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:2:3:	3:4:4:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	123.5887	1.095	9	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:2:3:	3:4:4:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	123.4668	0.578	6	123.2916	0.344	8	123.2916	0.344	8	123.5887	1.095	9	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:2:3:	3:4:4:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){2|C<4>,2|N<2>,2|N<3>,5|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	122.7660	0.035	2	123.2916	0.344	8	123.2916	0.344	8	123.5887	1.095	9	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|S<2>,2|O<1>,3|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]S[5a]){2|H<1>,3|C<3>}	120.2900	0.000	1	120.2900	0.000	1	120.2900	0.000	1	122.9408	9.270	6	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Ir)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Ir)(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,5|C<3>}	125.6827	0.639	3	125.6827	0.409	3	125.6827	0.409	3	122.9408	9.270	6	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	120.6100	0.000	1	120.6100	0.000	1	120.1535	0.417	2	122.9408	9.270	6	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	119.6970	0.000	1	119.6970	0.000	1	120.1535	0.417	2	122.9408	9.270	6	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	119.8255	0.223	2	120.1120	0.271	3	120.1120	0.271	3	119.8427	0.471	4	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	120.6850	0.000	1	120.1120	0.271	3	120.1120	0.271	3	119.8427	0.471	4	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ni)(C[5]C[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1	119.8427	0.471	4	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP2	C[6a]	N[5]	C[5a,6a]	3:3:3:	3:4:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2{1|N<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.5423	4.851	21	122.3844	6.771	30
643	542	727	0:SP2_SP2_SP3	C[6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	120.3610	0.000	1	120.3610	0.000	1	120.3610	0.000	1	120.3610	0.000	1	120.3610	0.000	1	122.9860	13.781	2
643	542	727	0:SP2_SP2_SP3	C[6a]	N[5]	C[5a,6a]	3:2:3:	3:4:4:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	125.6110	0.000	1	125.6110	0.000	1	125.6110	0.000	1	125.6110	0.000	1	125.6110	0.000	1	122.9860	13.781	2
643	542	727	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	116.9135	0.244	2
643	542	727	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[5a,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	116.9135	0.244	2
643	542	727	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1
643	542	929	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	S[6a]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6]){1|H<1>,2|C<4>,4|C<3>}	112.0850	0.000	1	112.3380	0.128	2	112.3380	0.128	2	112.3380	0.128	2	112.3380	0.128	2	112.3380	0.128	2
643	542	929	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	S[6a]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6]){1|H<1>,2|C<4>,4|C<3>}	112.5910	0.000	1	112.3380	0.128	2	112.3380	0.128	2	112.3380	0.128	2	112.3380	0.128	2	112.3380	0.128	2
643	542	933	0:SP2_SP2_SP2	C[6a]	N[5]	O[6a]	2:2:3:	3:4:4:	3:3:	N[6a]-2:O[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2	O[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	O[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|C<3>,2|C<4>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1
643	562	643	0:SP2_SP2_SP3	C[6,6a]	Si[5,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:Si[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[5,6]C[5]2O[6])(C[6a]C[6a]H)	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6])	C[6a](C[6,6a]C[6,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[5,6]C[5]2O[6])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|H<1>,3|C<4>}	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6]){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]Si[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	Si[5,5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5,5]C[5,6a]2Si[5,5])(C[6a]C[6a]H)2	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](Si[5,5]C[5,6a]2Si[5,5])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	Si[5,5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(Si[5,5]C[5,6a]2C[6a])(C[6a]C[6a]2){11|C<3>,3|H<1>}	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	121.5970	3.160	4	121.5970	9.984	4	121.5970	9.984	4	121.5970	9.984	4	120.9818	12.548	8	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	Si[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5,5]C[5,5,6]2H)(C[6a]C[6a]C)2	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(CSi2H)	C[6a](Si[5,5]C[5,5,6]2H)(C[6a]C[6a]C)2{4|H<1>,5|C<3>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H){2|C<4>,6|C<3>}	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(CSi2H){1|C<3>,1|H<1>,4|C<4>}	120.1175	7.376	2	120.1175	54.403	2	120.1175	54.403	2	120.1175	54.403	2	120.9818	12.548	8	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:3:	Si[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](Si[5,5]C[5,5,6]2C)(C[6a]C[6a]2)2	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](Si[5,5]C[5,5,6]2C)(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3){8|C<3>}	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>,5|C<4>}	120.6155	0.450	2	120.6155	0.203	2	120.6155	0.203	2	120.6155	0.203	2	120.9818	12.548	8	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	Si[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]Si[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,6|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]Si[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.1490	0.916	2	122.1490	0.840	2	122.1490	0.840	2	122.1490	0.840	2	122.4230	1.361	4	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	Si[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]Si[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|B<3>,2|C<4>,3|C<3>,6|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]Si[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.6970	1.715	2	122.6970	2.943	2	122.6970	2.943	2	122.6970	2.943	2	122.4230	1.361	4	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Si[5]-4:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(Si[5]C[5]3)	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(Si[5]C[5]3){2|C<3>,3|C<4>,7|H<1>}	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.8455	0.334	2	121.8455	0.112	2	121.8455	0.112	2	121.8455	0.112	2	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Si[5]-4:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(Si[5]C[5]3)	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(Si[5]C[5]3){3|H<1>,7|C<3>}	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2685	1.490	2	121.2685	2.220	2	121.2685	2.220	2	121.2685	2.220	2	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]O[5]2C)(C[6a]C[6a]H)2	Si[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]O[5]2C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	Si[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4170	0.322	2	121.4170	0.104	2	121.4170	0.104	2	121.4170	0.104	2	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]N[5]2H)(C[6a]C[6a]H)2	Si[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]N[5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Si[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.9765	0.832	2	120.9765	0.693	2	121.0845	3.138	4	121.0845	3.138	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]N[5]2H)(C[6a]C[6a]H)2	Si[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]N[5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Si[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	121.1925	2.945	2	121.1925	8.674	2	121.0845	3.138	4	121.0845	3.138	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5]C[5,6a]B[5]H)(C[6a]C[6a]C)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	C[6a](Si[5]C[5,6a]B[5]H)(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H){2|Si<4>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	121.1980	1.817	2	121.1980	3.302	2	121.1980	3.302	2	121.1980	3.302	2	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5]2C)(C[6a]C[6a]H)2	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CC){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,2|H<1>,3|C<3>}	121.3575	4.270	2	121.3575	18.235	2	121.3575	18.235	2	121.2812	8.425	6	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	Si[5](N[5]C[5,6a]C)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	Si[5](N[5]C[5,6a]C)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.2430	2.821	4	121.2430	7.958	4	121.2430	7.958	4	121.2812	8.425	6	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3875	1.384	6	121.3875	1.916	6	121.3875	1.916	6	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.4325	1.485	4	121.3816	2.131	28	121.3816	2.131	28	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.6252	1.888	4	121.3816	2.131	28	121.3816	2.131	28	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3226	1.450	20	121.3816	2.131	28	121.3816	2.131	28	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.1483	1.737	16	121.1483	3.016	16	121.1483	3.016	16	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0795	2.642	8	121.0795	6.980	8	121.0795	6.980	8	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.5870	1.534	8	121.5870	2.353	8	121.5870	2.353	8	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0957	0.832	4	121.0957	0.691	4	121.0957	0.691	4	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2	Si[5](C[6a]C[6a]2)2(C[5]C[5]H)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	Si[5](C[6a]C[6a]2)2(C[5]C[5]H)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.1308	1.507	4	121.1308	2.272	4	121.1308	2.272	4	121.2921	2.582	74	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:4:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5]N[5,5]N[5,6]C[6a])(C[6a]C[6a]C)2	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCH)	C[6a](Si[5]N[5,5]N[5,6]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(C[6a]C[6a]2)2{2|H<1>,6|C<3>,7|C<4>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCH){2|C<3>,2|C<4>,2|N<3>}	121.0507	1.679	4	121.0507	2.820	4	120.9200	2.867	12	120.9200	2.867	12	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:4:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5]N[5,5]N[5,6]C[6a])(C[6a]C[6a]C)2	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	C[6a](Si[5]N[5,5]N[5,6]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(C[6a]C[6a]2)2{2|H<1>,6|C<3>,7|C<4>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	120.8546	1.812	8	120.8546	3.282	8	120.9200	2.867	12	120.9200	2.867	12	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2185	1.688	6	121.2185	2.851	6	121.2185	2.851	6	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]2C)(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CC3){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.6130	2.699	4	121.6130	7.283	4	121.4773	6.674	12	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]2C)(C[6a]C[6a]H)2	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Si[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC3){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4095	2.711	8	121.4095	7.350	8	121.4773	6.674	12	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5530	0.411	4	121.5530	0.169	4	121.5530	0.169	4	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5]2C)(C[6a]C[6a]H)2	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5385	0.634	2	121.5385	0.402	2	121.5385	0.402	2	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|P<4>,4|C<3>,4|H<1>}	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Br<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3083	0.339	4	121.4731	0.511	16	121.4731	0.511	16	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|P<4>,4|C<3>,4|H<1>}	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Cl<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5280	0.808	12	121.4731	0.511	16	121.4731	0.511	16	121.4474	2.478	40	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5,6a]Si[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5,6a]Si[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.5480	0.428	4	119.5480	0.183	4	119.5480	0.183	4	119.5480	0.183	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	Si[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5]C[5,6a]Si[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCO)	C[6a](Si[5]C[5,6a]Si[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	Si[5](Si[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCO){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	123.8042	1.093	4	123.8042	1.194	4	123.8042	1.194	4	123.8042	1.194	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[4,5,5]C[5,5a]C[6a])(C[6a]C[6a]H)2	Si[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[4,5,5]C[5,5a]C[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,6|C<3>}	Si[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2{1|C<4>,3|O<2>,4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0247	0.498	4	121.0247	0.248	4	121.0247	0.248	4	121.0247	0.248	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:4:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5]C[5,5,6,6]C[6a]C[5])(C[6a]C[6a]C)2	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCHH)	C[6a](Si[5]C[5,5,6,6]C[6a]C[5])(C[6a]C[6a]C)2{2|C<4>,4|H<1>,5|C<3>}	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,3|C<4>}	120.6085	6.377	4	120.6085	40.664	4	120.6085	40.664	4	120.6085	40.664	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	Si[5]-4:C[6a]-3:C[6a]-3:	Si[5]-4:Si[5]-4:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[5]Si[5]2Cl)(C[6a]C[6a]C)2	Si[5](Si[5]Si[5]Cl2)2(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	C[6a](Si[5]Si[5]2Cl)(C[6a]C[6a]C)2{2|Si<4>,4|Cl<1>,1|C<3>,2|H<1>}	Si[5](Si[5]Si[5]Cl2)2(C[6a]C[6a]2)(Cl){4|Cl<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,2|Si<4>,1|C<3>,2|C<4>}	120.4120	0.705	4	120.4120	0.497	4	120.4120	0.497	4	120.4120	0.497	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2{1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4188	0.342	12	121.4188	0.117	12	121.4605	0.425	16	121.4605	0.425	16	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[6a]C[5]2)(C[6a]C[6a]H)2{4|H<1>,7|C<3>}	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5855	1.291	4	121.5855	1.666	4	121.4605	0.425	16	121.4605	0.425	16	121.2872	3.097	184	121.2960	3.391	197
643	562	643	0:SP2_SP2_SP3	C[6a]	Si[5]	C[6a]	4:3:3:	6:3:3:3:	3:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[5]C[5x3,6x5,20x6]C[6a]N[5])(C[6a]C[6a]H)2	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](Si[5]C[5x3,6x5,20x6]C[6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|H<1>,4|B<6>,4|C<3>}	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2{1|N<2>,2|C<4>,4|C<3>,5|B<6>,9|H<1>}	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(H){1|C<6>,1|N<3>,2|C<3>,2|H<1>}	120.9627	1.913	4	120.9627	3.659	4	120.9627	3.659	4	120.9627	3.659	4	121.2872	3.097	184	121.2960	3.391	197
643	562	643	6:SP2_SP2_SP3	C[6,6a]	Si[5,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a]-3:Si[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5]-4:O[6]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[5,6]C[5]2O[6])(C[6a]C[6a]H)	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6])	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[5,6]C[5]2O[6])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|H<1>,3|C<4>}	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6]){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1
643	598	643	0:SP2_SP2_SP2	C[6a]	Si[4]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:Si[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Si[4]N[4]2)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Si[4]N[4]2){1|H<1>,3|C<3>,3|C<4>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	120.7565	0.421	2	120.7565	0.177	2	120.7565	0.177	2	120.7565	0.177	2	120.7565	0.177	2	121.0900	11.094	8
643	598	643	0:SP2_SP2_SP2	C[6a]	Si[4]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:Si[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Si[4]N[4]2)	Si[4](C[6a]C[6a,6a]C[6a])(N[4]C[4]C)2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si[4])2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Si[4]N[4]2){1|Si<3>,1|H<1>,2|C<4>,4|C<3>}	Si[4](C[6a]C[6a,6a]C[6a])(N[4]C[4]C)2{1|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si[4])2{2|C<3>,2|C<4>,2|H<1>,4|N<3>}	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	121.0900	11.094	8
643	598	643	0:SP2_SP2_SP2	C[6a]	Si[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:Si[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Si[4]N[4]2)	Si[4](C[6a]C[5a,6a]C[6a])(N[4]C[4]C)2	C[6a](C[6a]C[5a,6a]Si[4])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Si[4]N[4]2){1|H<1>,2|C<4>,4|C<3>}	Si[4](C[6a]C[5a,6a]C[6a])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]Si[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	119.4005	6.506	2	119.4005	42.329	2	119.4005	42.329	2	121.8586	16.055	5	121.8586	16.055	5	121.0900	11.094	8
643	598	643	0:SP2_SP2_SP2	C[6a]	Si[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Si[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Si[4]N[4]2)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Si[4]N[4]2){1|H<1>,3|C<3>,3|C<4>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	122.9965	0.494	2	122.9965	0.244	2	122.9965	0.244	2	121.8586	16.055	5	121.8586	16.055	5	121.0900	11.094	8
643	598	643	0:SP2_SP2_SP2	C[6a]	Si[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:Si[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Si[4]N[4]2)	Si[4](C[6a]C[6a,6a]C[6a])(N[4]C[4]C)2	C[6a](C[6a]C[6a,6a]Si[4])(C[6a]C[5,6a]H)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Si[4]N[4]2){1|Si<3>,1|H<1>,2|C<4>,4|C<3>}	Si[4](C[6a]C[6a,6a]C[6a])(N[4]C[4]C)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Si[4])(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	121.8586	16.055	5	121.8586	16.055	5	121.0900	11.094	8
643	598	727	0:SP2_SP2_SP2	C[6a]	Si[4]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:Si[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Si[4]N[4]2)	Si[4](C[6a]C[5a,6a]C[6a])(N[4]C[4]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Si[4]N[4]2){1|H<1>,2|C<4>,4|C<3>}	Si[4](C[6a]C[5a,6a]C[6a])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a]){2|H<1>,2|N<3>,3|C<3>}	127.2040	7.053	2	127.2040	49.740	2	127.2040	49.740	2	127.2040	49.740	2	127.2040	49.740	2	127.2040	49.740	2
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	3:3:4:	4:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge[5]-4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(Ge[5]C[5]3)	Ge[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(Ge[5]C[5]3){1|Fe<10>,2|C<4>,3|C<3>,6|H<1>}	Ge[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH){1|C<3>,5|C<4>}	120.7935	1.766	2	120.7935	3.118	2	120.7935	3.118	2	120.7935	3.118	2	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]C[6a]S[5]2)(C[6a]C[6a]H)2	Ge[5](C[6a]C[6a]2)2(S[5]C[5])2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]C[6a]S[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Ge[5](C[6a]C[6a]2)2(S[5]C[5])2{2|C<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|S<2>}	120.8016	0.966	8	120.8016	0.932	8	120.8016	0.932	8	120.8016	0.932	8	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]N[5]2S)(C[6a]C[6a]H)2	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(S)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]N[5]2S)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(S){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<1>,2|H<1>,2|N<3>}	120.7710	3.270	2	120.7710	10.691	2	120.7710	10.691	2	120.4998	7.364	4	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]N[5]2Se)(C[6a]C[6a]H)2	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(Se)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]N[5]2Se)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(Se){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,2|H<1>,2|N<3>}	120.2285	3.333	2	120.2285	11.106	2	120.2285	11.106	2	120.4998	7.364	4	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]N[5]2O)(C[6a]C[6a]H)2	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(OB)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]N[5]2O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(OB){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.0605	1.204	2	120.0605	1.450	2	120.0605	1.450	2	120.1362	0.605	6	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]N[5]2S)(C[6a]C[6a]H)2	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SAg)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]N[5]2S)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SAg){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	120.0765	0.240	2	120.0765	0.057	2	120.0765	0.057	2	120.1362	0.605	6	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]N[5]2Se)(C[6a]C[6a]H)2	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SeAg)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]N[5]2Se)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SeAg){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,2|H<1>,2|N<3>}	120.2715	1.210	2	120.2715	1.464	2	120.2715	1.464	2	120.1362	0.605	6	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH)	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Cr<6>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.3665	8.158	2	120.3710	38.826	6	120.2921	18.252	12	120.2921	18.252	12	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH)	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,1|W<6>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.3945	8.120	2	120.3710	38.826	6	120.2921	18.252	12	120.2921	18.252	12	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH)	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Mo<6>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.3520	7.852	2	120.3710	38.826	6	120.2921	18.252	12	120.2921	18.252	12	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Cr<6>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	120.0145	1.501	2	120.2132	1.314	6	120.2921	18.252	12	120.2921	18.252	12	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,1|W<6>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	120.2765	1.371	2	120.2132	1.314	6	120.2921	18.252	12	120.2921	18.252	12	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H)	C[6a](Ge[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|Mo<6>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	120.3485	1.521	2	120.2132	1.314	6	120.2921	18.252	12	120.2921	18.252	12	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	Ge[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Ge[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)2{2|S<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8070	1.349	2	120.8070	1.820	2	120.8282	1.347	4	120.8282	1.347	4	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	Ge[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	Ge[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)2{2|O<2>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8495	1.490	2	120.8495	2.220	2	120.8282	1.347	4	120.8282	1.347	4	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	Ge[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]C[5,6a]Ge[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]C[5,6a]Ge[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|O<2>,2|C<3>,2|C<4>}	120.6730	0.351	2	120.6730	0.123	2	120.6730	0.123	2	120.6730	0.123	2	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	Ge[5]-4:C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,6a]Ge[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCO)	C[6a](Ge[5]C[5,6a]Ge[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	Ge[5](Ge[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,4|C<4>,8|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCO){1|Ge<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.6270	2.150	2	122.6270	4.621	2	122.6270	4.621	2	122.6270	4.621	2	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5]C[4,5,5]C[5,5a]C[6a])(C[6a]C[6a]H)2	Ge[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H)	C[6a](Ge[5]C[4,5,5]C[5,5a]C[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,6|C<3>}	Ge[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2{1|C<4>,3|O<2>,4|H<1>,9|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5390	0.575	4	120.5390	0.331	4	120.5390	0.331	4	120.5390	0.331	4	120.6406	8.466	52	120.6406	8.466	52
643	606	643	0:SP2_SP2_SP3	C[6a]	Ge[5]	C[6a]	4:3:3:	4:3:3:4:	3:3:4:	Ge[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](Ge[5]C[5,5]C[6a]C[5])(C[6a]C[6a]C)2	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CH3)	C[6a](Ge[5]C[5,5]C[6a]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,3|H<1>,6|C<3>}	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH){1|H<1>,4|C<4>,9|C<3>}	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	120.8653	4.995	8	120.8653	24.951	8	120.8653	24.951	8	120.8653	24.951	8	120.6406	8.466	52	120.6406	8.466	52
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:B-4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH){2|C<4>,3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.9530	0.000	1	120.9530	0.000	1	120.9530	0.000	1	120.9530	0.000	1	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	123.3021	2.213	7	123.3021	4.898	7	123.3021	4.898	7	123.3021	4.898	7	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:3:4:	3:3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	124.9960	0.000	1	124.9960	0.000	1	124.9960	0.000	1	124.9960	0.000	1	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pd)(C[6a]C[6a]B)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O){1|Pd<5>,2|C<3>,2|C<4>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pd)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:3:4:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	128.1790	0.000	1	128.1790	0.000	1	128.1790	0.000	1	128.1790	0.000	1	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H)	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B)	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H){1|Rh<6>,2|C<3>,2|C<4>}	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	126.5070	0.000	1	126.5070	0.000	1	126.5070	0.000	1	126.5070	0.000	1	124.1414	8.023	13	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BF3)	B(C[6a]C[6a,6a]C[6a])(F)3	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BF3){1|H<1>,1|N<4>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(F)3	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	126.0658	19.539	8	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:B-4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH){2|C<4>,3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	126.0658	19.539	8	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|C<4>,1|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]C){2|C<3>,4|H<1>}	130.6100	0.000	1	130.6100	0.000	1	127.2498	5.128	4	125.7448	15.171	5	126.0658	19.539	8	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|H<1>,1|S<3>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S){2|C<3>,4|H<1>}	126.1297	0.406	3	126.1297	0.165	3	127.2498	5.128	4	125.7448	15.171	5	126.0658	19.539	8	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H){2|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|C<3>,4|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	125.7448	15.171	5	126.0658	19.539	8	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C){1|C<4>,1|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]C){2|C<3>,4|H<1>}	132.8650	0.000	1	132.8650	0.000	1	132.8650	0.000	1	132.8650	0.000	1	126.0658	19.539	8	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BF3)	B(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BF3){1|H<1>,1|N<4>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BCl3)	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BCl3){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4105	5.024	2	123.4105	25.241	2	123.4105	25.241	2	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3)	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	113.3380	0.000	1	113.3380	0.000	1	113.3380	0.000	1	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:Cl-1:Cl-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H)	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<4>}	119.4020	1.797	2	119.4020	3.231	2	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1435	0.581	2	118.8840	24.127	4	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	116.6245	7.185	2	118.8840	24.127	4	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	116.1986	2.406	11	116.1986	5.788	11	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>}	120.7880	0.000	1	120.7880	0.000	1	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.2340	1.127	2	122.1090	0.682	3	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BF3){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8590	0.000	1	122.1090	0.682	3	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)2(BF3){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	121.4490	0.000	1	121.4490	0.000	1	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	118.1097	2.148	3	118.1097	4.613	3	118.2167	10.668	25	118.4004	12.435	30	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	122.0740	0.662	2	122.0740	0.438	2	122.0740	0.438	2	122.7680	1.664	3	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SCC){1|C<3>,2|H<1>}	124.1560	0.000	1	124.1560	0.000	1	124.1560	0.000	1	122.7680	1.664	3	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3)	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	131.6490	0.000	1	131.6490	0.000	1	131.6490	0.000	1	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:Cl-1:Cl-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H)	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	124.7310	0.000	1	124.7310	0.000	1	124.7310	0.000	1	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3){1|C<3>,2|H<1>}	133.8060	0.000	1	133.8060	0.000	1	126.4638	25.803	4	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	122.6930	0.000	1	124.0163	2.765	3	126.4638	25.803	4	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	124.6780	1.704	2	124.0163	2.765	3	126.4638	25.803	4	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	125.4220	1.213	2	126.4103	3.667	3	126.4103	3.667	3	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	128.3870	0.000	1	126.4103	3.667	3	126.4103	3.667	3	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC3){1|C<3>,2|H<1>}	128.3225	1.576	2	128.3225	2.484	2	127.7627	5.252	11	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCCH){1|C<3>,2|H<1>}	124.5590	0.000	1	124.5590	0.000	1	127.7627	5.252	11	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2C){1|C<3>,2|H<1>}	128.8990	2.731	2	128.8990	7.458	2	127.7627	5.252	11	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2H){1|C<3>,2|H<1>}	124.7725	0.175	2	124.7725	0.031	2	127.7627	5.252	11	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,2|H<1>}	129.2107	0.967	4	129.2107	0.934	4	127.7627	5.252	11	127.3428	8.961	20	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(FNi)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(FNi)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	117.9325	0.467	2	117.9325	0.218	2	117.7900	1.318	4	117.4264	1.649	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	117.6475	1.911	2	117.6475	3.653	2	117.7900	1.318	4	117.4264	1.649	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO)	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	117.4264	1.649	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(FNi)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PNiCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(FNi)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PNiCC){1|C<3>,2|H<1>}	124.7745	0.233	2	124.7745	0.054	2	125.2352	1.632	4	125.8516	3.124	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,2|H<1>}	124.2830	0.000	1	124.2830	0.000	1	125.2352	1.632	4	125.8516	3.124	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PPdCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PPdCC){1|C<3>,2|H<1>}	127.1090	0.000	1	127.1090	0.000	1	125.2352	1.632	4	125.8516	3.124	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:F-1:F-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO)	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	128.3170	0.000	1	128.3170	0.000	1	128.3170	0.000	1	125.8516	3.124	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:2:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3){1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	121.5225	1.016	4	121.5225	1.032	4	121.5225	1.032	4	121.5225	1.032	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3)	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|B<4>,1|C<3>,1|H<1>}	121.1690	0.000	1	120.9340	0.110	2	120.9340	0.110	2	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3)	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	120.6990	0.000	1	120.9340	0.110	2	120.9340	0.110	2	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3)	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|B<4>,1|C<3>,1|F<1>}	123.6190	0.000	1	123.7225	0.021	2	123.4685	4.218	4	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3)	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,2|F<1>}	123.8260	0.000	1	123.7225	0.021	2	123.4685	4.218	4	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC3)	B(C[6a]C[6a]2)(CP)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CP)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	123.2145	3.518	2	123.2145	12.375	2	123.4685	4.218	4	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BO3)	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BO3){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9430	5.937	2	122.9430	35.246	2	122.9430	35.246	2	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3){1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	122.4275	1.259	4	122.4275	1.584	4	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(OC[5])3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OC[5])3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1650	1.331	2	122.1650	1.771	2	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(OH)(ON)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)(ON)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	121.8100	0.970	2	121.8100	0.941	2	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(OH)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	122.3710	0.349	2	122.3710	0.122	2	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)2(BO3){3|C<3>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	121.0085	1.515	4	121.0085	2.296	4	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	121.4425	2.183	4	121.3426	2.246	40	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	121.2706	1.460	16	121.3426	2.246	40	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.5791	1.058	8	121.3426	2.246	40	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.2477	1.726	12	121.3426	2.246	40	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|N<2>,2|H<1>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.1460	0.865	2	122.1460	0.749	2	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)2(BO3){2|Br<1>,1|C<3>}	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|C<3>,2|H<1>}	120.7422	0.513	4	120.7422	0.263	4	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BO3)	B(C[6a]C[6a]2)(ON[6])(OC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(ON[6])(OC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	121.4408	1.728	4	121.4408	2.986	4	121.4557	1.961	64	121.5943	2.695	72	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[6a]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[5]Br2)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[5]Br2){1|C<3>,2|F<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3785	2.767	2	123.3785	7.656	2	123.3785	7.656	2	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]Cl2)	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]Cl2){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7438	1.779	4	121.7438	3.164	4	121.7438	3.164	4	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6]Br2)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6]Br2){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1815	6.325	2	123.1815	40.007	2	123.1815	40.007	2	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2035	3.304	14	123.2035	10.915	14	123.2035	10.915	14	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]ClH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.8830	1.848	2	122.8830	3.416	2	122.8830	3.416	2	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,2|H<1>}	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4140	0.000	1	118.1527	17.059	3	118.1527	17.059	3	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	118.0220	5.832	2	118.1527	17.059	3	118.1527	17.059	3	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.7890	0.000	1	121.7890	0.000	1	122.2904	8.678	5	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[6]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[6]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	122.4158	3.386	4	122.4158	11.466	4	122.2904	8.678	5	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BHHS)	B(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BHHS){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.7855	0.391	2	122.7855	0.153	2	122.7855	0.153	2	122.1351	12.797	35	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,2|H<1>}	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	125.1540	0.000	1	125.1540	0.000	1	125.1540	0.000	1	123.7395	4.002	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	122.3250	0.000	1	122.3250	0.000	1	122.3250	0.000	1	123.7395	4.002	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BCl2C)	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)2(BCl2C){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.2055	1.771	2	121.2055	3.138	2	121.5695	16.204	4	123.3785	20.501	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BCl2C)	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BCl2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	121.9335	6.704	2	121.9335	44.945	2	121.5695	16.204	4	123.3785	20.501	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	132.5250	0.000	1	132.5250	0.000	1	132.5250	0.000	1	123.3785	20.501	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	127.3525	5.366	2	127.3525	28.796	2	127.3525	28.796	2	123.3785	20.501	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]HH)	B(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1461	3.142	8	122.1461	9.874	8	122.1461	9.874	8	123.3785	20.501	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]CH)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7390	3.352	2	121.7390	11.234	2	121.7390	11.234	2	123.1116	13.161	48	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1111	3.240	8	123.1111	10.496	8	123.1111	10.496	8	123.1116	13.161	48	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2202	4.146	20	123.2202	17.189	20	123.1891	15.121	36	123.1116	13.161	48	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1198	4.177	4	123.1198	17.450	4	123.1891	15.121	36	123.1116	13.161	48	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1603	3.696	12	123.1603	13.660	12	123.1891	15.121	36	123.1116	13.161	48	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]HO)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]HO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0925	0.794	2	123.0925	0.631	2	123.0925	0.631	2	123.1116	13.161	48	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]HO)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)2(BC[6a]HO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>}	123.2498	2.297	4	123.2498	5.277	4	123.2498	5.277	4	123.2498	5.277	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	130.7460	0.000	1	130.7460	0.000	1	130.7460	0.000	1	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1555	1.006	2	123.1555	1.012	2	122.9326	14.813	22	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4143	3.301	4	123.4143	10.896	4	122.9326	14.813	22	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.7788	5.476	4	122.7788	29.985	4	122.9326	14.813	22	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0410	4.599	4	123.0410	21.148	4	122.9326	14.813	22	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(OP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.6587	4.178	8	122.6587	17.457	8	122.9326	14.813	22	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]OO)	B(C[6a]C[6a]2)2(ON)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]OO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(ON)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0161	1.182	16	122.0161	1.398	16	122.0161	1.398	16	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:N-2:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]NN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1645	4.686	2	123.1645	21.959	2	123.1645	21.959	2	122.7768	10.690	41	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5710	5.415	4	123.5710	29.326	4	123.5710	29.326	4	123.5710	29.326	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3563	3.994	20	123.3563	15.949	20	123.3092	13.950	32	123.3092	13.950	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3672	3.051	4	123.3672	9.311	4	123.3092	13.950	32	123.3092	13.950	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(OS[5])(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OS[5])(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1623	3.803	8	123.1623	14.464	8	123.3092	13.950	32	123.3092	13.950	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	124.3170	0.000	1	124.3170	0.000	1	124.3170	0.000	1	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	122.1824	2.294	7	122.1824	5.265	7	122.1824	5.265	7	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|C<4>,1|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	113.8640	0.000	1	116.5050	3.111	4	116.5050	3.111	4	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|H<1>,1|S<3>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3853	0.129	3	116.5050	3.111	4	116.5050	3.111	4	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H){2|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.4390	0.000	1	123.4390	0.000	1	123.4390	0.000	1	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1175	3.893	4	123.1175	15.154	4	123.3678	10.142	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<3>}	123.6660	2.755	2	123.4512	9.667	12	123.3678	10.142	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<4>}	123.7643	2.948	4	123.4512	9.667	12	123.3678	10.142	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1708	3.787	6	123.4512	9.667	12	123.3678	10.142	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1075	3.383	4	123.1075	11.442	4	123.3484	10.435	40	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1120	3.185	4	123.1120	10.141	4	123.3484	10.435	40	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1418	3.718	4	123.1418	13.820	4	123.3484	10.435	40	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4248	3.291	4	123.4248	10.831	4	123.3484	10.435	40	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4327	3.420	20	123.4327	11.695	20	123.3484	10.435	40	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5348	3.879	4	123.5348	15.047	4	123.3484	10.435	40	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl)	B(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3319	3.680	30	123.3319	13.544	30	123.3319	13.544	30	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F){2|F<1>,3|C<3>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	123.3077	2.295	3	123.3077	5.269	3	123.3577	11.591	153	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>}	123.8570	4.294	2	123.3587	11.753	150	123.3577	11.591	153	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<3>}	123.7605	3.951	2	123.3587	11.753	150	123.3577	11.591	153	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<4>}	123.4863	3.390	22	123.3587	11.753	150	123.3577	11.591	153	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3286	3.469	122	123.3587	11.753	150	123.3577	11.591	153	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	122.8870	4.197	2	123.3587	11.753	150	123.3577	11.591	153	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	114.5590	0.000	1	114.5590	0.000	1	121.1935	11.405	6	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	122.0545	0.401	2	122.2085	0.754	4	121.1935	11.405	6	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.3625	1.416	2	122.2085	0.754	4	121.1935	11.405	6	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	123.7680	0.000	1	123.7680	0.000	1	121.1935	11.405	6	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	B(C[6a]C[6a]2)3(Ga)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(Ga)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2778	1.961	6	123.2778	3.844	6	123.2778	3.844	6	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2295	1.400	4	123.2295	1.959	4	123.3764	9.959	391	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3298	3.428	28	123.3298	11.753	28	123.3764	9.959	391	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	128.0860	0.000	1	123.3817	9.946	359	123.3764	9.959	391	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.4514	3.479	14	123.3817	9.946	359	123.3764	9.959	391	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<4>}	123.9175	2.293	2	123.3817	9.946	359	123.3764	9.959	391	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3619	3.146	342	123.3817	9.946	359	123.3764	9.959	391	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,4|C<3>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(H){3|C<3>}	120.8430	0.031	2	120.8430	0.001	2	122.3574	1.805	41	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.4340	1.349	38	122.4340	1.820	38	122.3574	1.805	41	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	122.4750	0.000	1	122.4750	0.000	1	122.3574	1.805	41	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5093	3.628	12	123.5093	13.159	12	123.5093	13.159	12	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]ClN)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1647	6.200	12	123.1647	38.436	12	123.1647	38.436	12	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0825	3.186	8	123.0825	10.153	8	123.0771	13.434	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9265	3.927	4	122.9265	15.419	4	123.0771	13.434	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2170	5.292	4	123.2170	28.003	4	123.0771	13.434	16	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3355	3.729	2	123.3355	13.902	2	123.4249	7.266	8	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4547	2.718	6	123.4547	7.387	6	123.4249	7.266	8	123.2405	10.587	744	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FSc)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FSc){1|C<3>,2|F<1>}	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F){2|F<1>,3|C<3>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]F){3|C<3>,4|F<1>}	122.2423	2.040	3	122.2423	4.163	3	122.2423	4.163	3	122.2356	2.082	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,4|C<3>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B){1|N<4>,2|H<1>,6|C<3>}	122.2255	0.023	2	122.2255	0.001	2	122.2255	0.001	2	122.2356	2.082	5	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1919	3.401	16	122.1919	11.567	16	122.1499	12.390	32	122.3376	14.300	37	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1079	3.746	16	122.1079	14.035	16	122.1499	12.390	32	122.3376	14.300	37	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3){1|C<3>,2|H<1>}	132.4180	0.000	1	132.4180	0.000	1	132.4180	0.000	1	122.3376	14.300	37	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SiC[6a]2F)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SiC[6a]2F){1|C<3>,2|H<1>}	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	122.3376	14.300	37	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<3>,2|C<4>,3|H<1>}	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	123.1160	0.000	1	123.1160	0.000	1	123.1160	0.000	1	122.3376	14.300	37	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BN[5a]2H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BN[5a]2H){1|C<3>,2|H<1>}	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	121.9390	3.257	2	121.9390	10.608	2	121.9390	10.608	2	122.3376	14.300	37	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.1710	0.000	1	121.1710	0.000	1	119.0040	9.392	2	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O){1|Pd<5>,2|C<3>,2|C<4>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<3>}	116.8370	0.000	1	116.8370	0.000	1	119.0040	9.392	2	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C){1|C<4>,1|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BCNO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BCNO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1637	0.955	4	122.1637	0.911	4	122.1637	0.911	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2999	2.639	8	123.2999	6.966	8	123.3067	12.550	16	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6530	4.592	4	123.6530	21.089	4	123.3067	12.550	16	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9740	5.010	4	122.9740	25.101	4	123.3067	12.550	16	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:I-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2067	2.739	4	123.2067	7.501	4	123.2067	7.501	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1575	2.203	4	123.1575	4.852	4	123.1575	4.852	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5479	3.407	8	123.5479	11.607	8	123.2584	11.125	16	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9243	2.851	4	122.9243	8.128	4	123.2584	11.125	16	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0135	4.468	4	123.0135	19.963	4	123.2584	11.125	16	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4167	3.646	60	123.4167	13.294	60	123.3447	12.537	83	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1567	3.321	23	123.1567	11.026	23	123.3447	12.537	83	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.3438	1.622	6	122.3438	2.631	6	122.2946	1.307	22	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	122.1585	1.428	2	122.1349	0.678	15	122.2946	1.307	22	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.2455	0.702	12	122.1349	0.678	15	122.2946	1.307	22	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|Ru<6>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.7610	0.000	1	122.1349	0.678	15	122.2946	1.307	22	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|Ru<6>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]B)(H){1|H<1>,2|C<3>}	124.3940	0.000	1	124.3940	0.000	1	122.2946	1.307	22	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2347	2.187	23	123.2347	4.782	23	123.2347	4.782	23	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	124.6360	0.769	2	123.8645	3.325	4	123.8645	3.325	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0930	2.646	2	123.8645	3.325	4	123.8645	3.325	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	113.0370	0.000	1	117.6248	6.913	5	118.7551	8.515	7	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	118.7717	0.668	4	117.6248	6.913	5	118.7551	8.515	7	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.5810	1.039	2	121.5810	1.080	2	118.7551	8.515	7	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:In-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2In)	B(C[6a]C[6a]2)3(InC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2In){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(InC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1978	2.622	24	123.1978	6.872	24	123.1978	6.872	24	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>}	115.7815	0.561	2	115.7815	0.314	2	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	122.9427	4.762	6	123.0864	11.517	113	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0944	3.331	107	123.0864	11.517	113	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NMo)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NMo)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4047	2.856	12	123.4047	8.154	12	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1286	3.736	24	123.1286	13.957	24	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NRe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NRe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2040	3.767	6	123.2040	14.192	6	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NTi)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NTi)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4209	4.045	12	123.4209	16.363	12	123.0565	12.268	169	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.8350	0.710	3	116.8350	0.504	3	121.9674	4.204	62	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.2283	1.724	59	122.2283	2.972	59	121.9674	4.204	62	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	124.4285	6.826	2	124.4285	46.590	2	124.4285	46.590	2	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2890	4.653	4	123.2890	21.653	4	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OAs)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OAs)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3687	3.118	6	123.3687	9.721	6	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.2634	4.123	18	123.1486	13.735	380	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1429	3.690	362	123.1486	13.735	380	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[3,3])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC[3,3])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2775	4.264	11	123.2775	18.179	11	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[3])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC[3])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2527	2.748	6	123.2527	7.552	6	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9375	3.850	60	122.9375	14.819	60	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2218	4.384	42	123.2218	19.224	42	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3171	4.157	53	123.3171	17.283	53	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1891	3.834	53	123.1891	14.697	53	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3046	3.228	91	123.3046	10.418	91	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>}	123.6765	5.202	2	123.2972	12.031	70	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.3762	3.724	18	123.2972	12.031	70	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2536	3.401	50	123.2972	12.031	70	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON[6,6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ON[6,6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2734	3.778	12	123.2734	14.274	12	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ON[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3013	4.294	6	123.3013	18.437	6	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ONb[5x3])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ONb[5x3])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1330	2.733	6	123.1330	7.468	6	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1858	3.366	52	123.1858	11.328	52	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ORe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ORe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1322	2.959	12	123.1322	8.759	12	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2824	3.907	24	123.2824	15.269	24	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OSb)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OSb)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3207	4.278	12	123.3207	18.305	12	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OTa)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OTa)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8658	2.617	5	123.8658	6.851	5	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OTi)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OTi)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5040	3.566	6	123.5040	12.720	6	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OW)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OW)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0777	3.643	24	123.0777	13.273	24	123.1950	13.440	935	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,5|C<3>}	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]B)(H){1|C<4>,1|P<4>,3|C<3>}	114.2390	0.000	1	114.2390	0.000	1	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	118.1093	3.892	4	118.1093	15.149	4	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0513	0.700	4	122.0513	0.490	4	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0857	2.031	16	122.0857	4.126	16	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0163	2.194	6	122.0163	4.812	6	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	121.7840	0.057	2	121.7840	0.003	2	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.5655	3.269	2	121.5655	10.686	2	121.3443	7.350	35	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3342	4.726	6	123.3342	22.339	6	123.4859	16.935	18	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5618	4.000	12	123.5618	16.000	12	123.4859	16.935	18	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3353	3.373	4	123.3353	11.376	4	123.3353	11.376	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]NO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1390	3.596	4	123.1390	12.928	4	123.1390	12.928	4	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5a]-3:N[5a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5a]2H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5a]2H){1|C<3>,2|H<1>}	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8365	1.266	2	121.8365	1.604	2	121.8365	1.604	2	123.0489	12.329	1441	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FMg)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FMg){1|C<3>,2|F<1>}	122.1170	1.102	2	122.1170	1.214	2	122.1170	1.214	2	122.1170	1.214	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	130.7680	0.000	1	130.7680	0.000	1	130.7680	0.000	1	130.7680	0.000	1	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	123.1052	3.020	4	123.1052	9.122	4	122.4377	8.835	12	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1039	3.097	8	122.1039	9.592	8	122.4377	8.835	12	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PFeCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PFeCC){1|C<3>,2|H<1>}	124.7490	0.658	4	124.7490	0.433	4	124.7490	0.433	4	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N){1|C<3>,2|F<1>}	126.8500	0.117	2	126.8500	0.014	2	126.8500	0.014	2	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	128.4930	0.667	3	128.4930	0.445	3	128.4930	0.445	3	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.2160	4.387	4	122.2160	19.243	4	122.2160	19.243	4	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,2|H<1>}	126.4228	4.593	4	126.4228	21.095	4	126.4228	21.095	4	124.2063	12.990	29	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P[5]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,5|C<3>}	B(C[6a]C[6a]2)3(OC)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B){3|C<4>,3|H<1>,6|C<3>}	131.6200	0.000	1	131.6200	0.000	1	131.6200	0.000	1	131.6200	0.000	1	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.9617	0.886	3	123.9617	0.784	3	123.9617	0.784	3	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]3)	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.9734	2.247	68	121.9734	5.048	68	121.9734	5.048	68	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]2C)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]2C){1|C<3>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.4505	0.371	2	121.4505	0.138	2	121.4505	0.138	2	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]2N[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5]){1|C<3>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8501	2.101	22	121.8501	4.415	22	121.8501	4.415	22	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]2N[6])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]2N[6]){1|C<3>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.3715	2.849	2	121.3715	8.116	2	121.3715	8.116	2	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]3)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.4104	2.097	8	122.4642	5.350	26	122.4642	5.350	26	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]3)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	122.6336	3.147	8	122.4642	5.350	26	122.4642	5.350	26	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]3)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	122.3718	1.923	10	122.4642	5.350	26	122.4642	5.350	26	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]2O)	B(C[6]C[6]N[6])2(C[6a]C[6a]2)(OPtC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]2O){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])2(C[6a]C[6a]2)(OPtC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1005	2.544	4	122.1005	6.470	4	122.1005	6.470	4	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2)	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.2253	3.035	26	122.0949	6.408	40	122.0949	6.408	40	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2)	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8526	1.188	14	122.0949	6.408	40	122.0949	6.408	40	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]CC)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5765	0.032	2	122.5765	0.001	2	122.5765	0.001	2	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7157	4.105	24	123.7157	16.854	24	123.5776	13.355	36	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3111	2.441	8	123.3111	5.956	8	123.5776	13.355	36	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CSiC)(CZrC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CSiC)(CZrC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2820	3.498	4	123.2820	12.237	4	123.5776	13.355	36	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6804	3.495	12	123.6804	12.218	12	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4369	4.064	36	123.4369	16.518	36	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4394	3.848	108	123.4394	14.806	108	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	124.3008	4.687	5	124.3008	21.965	5	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[3]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[3]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4505	3.834	12	123.4505	14.699	12	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4082	3.985	30	123.4082	15.877	30	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CSiC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CSiC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4715	4.494	6	123.4715	20.200	6	123.4705	14.962	209	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	122.0290	4.811	5	123.2941	16.233	3263	123.2941	16.233	3263	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3087	4.182	6	123.2941	16.233	3263	123.2941	16.233	3263	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	123.5913	4.604	4	123.2941	16.233	3263	123.2941	16.233	3263	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2957	4.029	3248	123.2941	16.233	3263	123.2941	16.233	3263	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[4x3]C[6a])(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|C<4>,1|C<7>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[4x3]C[6a])(C[6a]C[6a]B)(H){1|C<3>,2|F<3>,2|H<1>,4|F<2>}	121.3920	0.000	1	121.3920	0.000	1	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|C<4>,1|C<7>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	123.0320	0.000	1	122.0894	3.217	1442	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	122.0889	1.793	1439	122.0894	3.217	1442	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<4>,2|C<3>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	121.9950	3.302	2	122.0894	3.217	1442	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<3>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5685	0.917	2	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	126.5985	0.848	2	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	124.8555	0.885	2	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.6882	2.612	24	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	122.3997	2.777	4	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5470	1.828	8667	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	122.8866	2.309	7	122.5491	3.354	8708	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<3>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	123.5770	0.122	2	120.6832	5.999	6	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<4>}	118.3970	1.085	2	120.6832	5.999	6	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	120.0755	0.930	2	120.6832	5.999	6	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]3){2|Cl<1>,1|C<3>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(H){1|C<3>,2|H<1>}	121.5953	1.765	132	121.5953	3.117	132	122.4712	3.369	10289	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NBH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NBH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4467	4.298	12	123.4467	18.471	12	123.3547	12.295	90	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1855	2.983	30	123.1855	8.896	30	123.3547	12.295	90	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2977	3.311	18	123.2977	10.965	18	123.3547	12.295	90	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6817	4.264	12	123.6817	18.184	12	123.3547	12.295	90	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NGe[5]Si)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NGe[5]Si)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4012	5.017	6	123.4012	25.171	6	123.3547	12.295	90	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4208	3.281	12	123.4208	10.767	12	123.3547	12.295	90	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(H){1|F<1>,1|H<1>,3|C<3>}	123.4972	0.428	6	123.4972	0.183	6	123.4972	0.183	6	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0678	4.730	4	123.0678	22.374	4	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OBH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OBH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3709	3.517	24	123.3709	12.366	24	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.1980	3.518	6	123.0940	16.488	12	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9900	4.886	6	123.0940	16.488	12	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OCoH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OCoH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1103	4.026	12	123.1103	16.209	12	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0577	3.329	42	123.0577	11.085	42	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ONiH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(ONiH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.8993	6.074	6	122.8993	36.896	6	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OPtH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OPtH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	120.7738	4.000	24	120.7738	16.004	24	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OSnH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(OSnH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2867	4.319	6	123.2867	18.654	6	122.7056	14.911	130	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(H){1|H<1>,2|C<3>}	120.0077	0.562	6	120.0077	0.316	6	120.0077	0.316	6	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4285	2.038	12	123.4285	4.152	12	122.9585	7.452	17	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	117.1930	0.000	1	121.8304	16.136	5	122.9585	7.452	17	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9898	3.543	4	121.8304	16.136	5	122.9585	7.452	17	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[5]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]3)	B(C[6a]C[6a]2)(N[5]C[5]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[5]C[5]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0496	2.376	36	122.0496	5.647	36	122.0496	5.647	36	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6065	5.018	2	123.6065	25.184	2	123.6065	25.184	2	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[6]CN)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[6]CN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7675	0.405	2	121.7675	0.164	2	121.7675	0.164	2	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]3)	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]3){1|C<3>,2|H<1>}	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	121.7870	2.114	2	121.7550	3.816	56	121.7550	3.816	56	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]3)	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]3){1|C<3>,2|H<1>}	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	121.9264	2.941	14	121.7550	3.816	56	121.7550	3.816	56	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]3)	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]3){1|C<3>,2|H<1>}	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	121.9312	2.291	10	121.7550	3.816	56	121.7550	3.816	56	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]3)	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]3){1|C<3>,2|H<1>}	B(N[5]C[5]N[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.6142	1.237	30	121.7550	3.816	56	121.7550	3.816	56	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5a]3)	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5a]3){1|C<3>,2|H<1>}	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7055	0.559	4	121.7055	0.312	4	121.7055	0.312	4	122.6754	6.824	14316	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FMg)	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FMg){1|C<3>,2|F<1>}	124.5413	4.816	4	124.5413	23.194	4	125.2698	20.049	5	126.0190	19.407	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FSc)	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FSc){1|C<3>,2|F<1>}	128.1840	0.000	1	128.1840	0.000	1	125.2698	20.049	5	126.0190	19.407	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FLi)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FLi){1|C<3>,2|F<1>}	129.7650	0.000	1	129.7650	0.000	1	129.7650	0.000	1	126.0190	19.407	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[5]CC)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[5]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.5730	1.229	2	122.5730	1.510	2	122.5730	1.510	2	122.5730	1.510	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.1020	0.000	1	120.1020	0.000	1	120.1020	0.000	1	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	117.6750	0.000	1	117.6750	0.000	1	117.6750	0.000	1	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]2C)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]2C){1|C<3>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.5645	0.936	2	121.5645	0.875	2	121.5645	0.875	2	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[5]N[6]C)	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[5]N[6]C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4990	7.764	2	123.4990	60.280	2	123.4990	60.280	2	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6533	3.414	6	123.6533	11.655	6	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	121.4235	1.508	2	123.7114	12.152	124	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7489	3.499	122	123.7114	12.152	124	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[3]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[3]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7000	3.305	6	123.7000	10.922	6	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[5]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[5]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4385	3.999	29	123.4385	15.993	29	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[6]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[6]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4089	3.416	35	123.4089	11.666	35	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[6]HP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[6]HP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2943	4.568	6	123.2943	20.870	6	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7055	3.770	12	123.7055	14.211	12	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	119.8650	0.000	1	123.5769	11.524	135	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6046	3.392	134	123.5769	11.524	135	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7209	3.743	12	123.7209	14.012	12	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CSiHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CSiHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8673	3.715	6	123.8673	13.798	6	123.6074	12.122	371	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.9912	2.372	5	122.9912	5.628	5	122.6697	5.368	11	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.4018	2.458	6	122.4018	6.043	6	122.6697	5.368	11	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	B(C[6a]C[6a]2)3(GaS3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(GaS3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6853	2.968	10	123.6853	8.807	10	123.6853	8.807	10	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:In-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2In)	B(C[6a]C[6a]2)3(InS3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2In){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(InS3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7491	2.161	11	123.7491	4.670	11	123.7491	4.670	11	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3243	3.739	4	123.3243	13.980	4	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4426	4.035	204	123.4426	16.278	204	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.9515	1.901	6	123.9515	3.613	6	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1000	3.239	6	123.1000	10.489	6	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3001	3.856	24	123.3001	14.870	24	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]CH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC[6a]CH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7393	5.049	12	123.7393	25.488	12	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1784	3.634	18	123.1784	13.206	18	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2106	3.480	42	123.2106	12.110	42	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1388	2.840	6	123.1388	8.068	6	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,2|F<1>}	124.2003	2.713	12	124.2003	7.361	12	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	120.7510	0.000	1	122.6816	8.113	5	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1643	3.044	4	122.6816	8.113	5	123.4120	14.590	339	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	121.9418	3.784	6	121.9418	14.320	6	122.0557	5.056	36	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.2022	2.325	12	122.2022	5.406	12	122.0557	5.056	36	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1931	1.795	12	122.1931	3.223	12	122.0557	5.056	36	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	121.6018	1.316	6	121.6018	1.732	6	122.0557	5.056	36	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P)	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	122.6633	0.741	3	122.6633	0.549	3	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PBCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PBCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6580	3.623	6	123.6580	13.124	6	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PBHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2707	2.761	12	123.2707	7.625	12	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.6768	1.795	6	123.7715	5.074	22	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8070	2.455	16	123.7715	5.074	22	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.3558	5.721	6	123.2209	14.835	18	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1535	2.834	12	123.2209	14.835	18	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PCCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6273	4.072	12	123.6273	16.578	12	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PCOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5703	4.578	12	123.5703	20.958	12	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[5]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[5]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3005	2.218	6	123.3005	4.920	6	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6]3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[6]3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.8782	2.153	17	123.8782	4.638	17	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]2B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[6a]2B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4927	2.736	6	123.4927	7.486	6	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4772	3.821	12	123.4772	14.599	12	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[6a]3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	123.7227	2.298	6	123.7227	5.282	6	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2487	3.948	12	123.2487	15.589	12	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]SiH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC[6a]SiH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4850	3.286	6	123.4850	10.796	6	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3710	2.648	12	123.3710	7.009	12	123.5037	9.678	162	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P)	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,2|F<1>}	122.2970	0.428	3	122.2970	0.183	3	122.1711	3.081	9	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PNiSiH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2P){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(PNiSiH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1082	2.201	6	122.1082	4.843	6	122.1711	3.081	9	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2Si)	B(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2Si){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6647	3.204	6	123.6647	10.266	6	123.6647	10.266	6	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8010	1.222	2	123.8010	1.493	2	123.8010	1.493	2	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]2C)	B(N[5]C[5]N[5])2(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]2C){1|C<3>,2|H<1>}	B(N[5]C[5]N[5])2(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0890	3.209	2	122.0890	10.297	2	122.0890	10.297	2	123.4252	12.073	965	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FZr)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FZr){1|C<3>,2|F<1>}	126.9340	1.396	2	126.9340	1.948	2	127.5810	2.230	3	127.2535	1.916	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FSc)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,1|F<1>,1|F<2>}	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FSc){1|C<3>,2|F<1>}	128.8750	0.000	1	128.8750	0.000	1	127.5810	2.230	3	127.2535	1.916	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FTi)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FTi){1|C<3>,2|F<1>}	126.2710	0.000	1	126.2710	0.000	1	126.2710	0.000	1	127.2535	1.916	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]2N)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]2N){1|C<3>,2|H<1>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	121.8535	2.993	4	121.8535	8.959	4	121.8535	8.959	4	121.8535	8.959	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:5:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-5:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CTiCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CTiCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4205	3.839	6	123.4205	14.736	6	123.4951	13.137	12	123.4951	13.137	12	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:3:5:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-5:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CZrH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(CZrH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5697	3.762	6	123.5697	14.151	6	123.4951	13.137	12	123.4951	13.137	12	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[5]CH)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[5]CH){1|C<3>,2|F<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1770	6.218	2	123.1770	38.667	2	123.1770	38.667	2	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3233	3.565	4	123.3233	12.713	4	123.4074	10.294	36	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4596	3.072	24	123.4596	9.439	24	123.4074	10.294	36	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCHP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHP)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0602	3.951	4	123.0602	15.612	4	123.4074	10.294	36	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5260	4.382	4	123.5260	19.201	4	123.4074	10.294	36	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	B(C[6a]C[6a]2)2(CCHH)(I)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(I)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5570	4.663	4	123.5570	21.742	4	123.5570	21.742	4	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9423	3.170	4	122.9423	10.048	4	123.2318	8.839	8	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NLiHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NLiHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5213	3.218	4	123.5213	10.352	4	123.2318	8.839	8	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1569	3.459	8	123.1569	11.961	8	123.1116	13.241	20	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1555	3.476	4	123.1555	12.084	4	123.1116	13.241	20	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9008	5.082	4	122.9008	25.822	4	123.1116	13.241	20	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1880	4.239	4	123.1880	17.972	4	123.1116	13.241	20	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5360	7.470	2	123.5360	55.799	2	123.5360	55.799	2	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]CH)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]CH){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2620	1.522	2	123.2620	2.316	2	123.2620	2.316	2	123.3099	11.470	74	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-3:P-4:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BBrBP)	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BBrBP){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	121.9410	7.937	2	121.9410	62.989	2	121.9410	62.989	2	122.0258	26.843	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BClBP)	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BClBP){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.0683	4.872	4	122.0683	23.735	4	122.0683	23.735	4	122.0258	26.843	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4780	4.028	4	123.4780	16.223	4	123.4327	14.061	44	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCCH)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCCH)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5238	4.333	4	123.5238	18.773	4	123.4327	14.061	44	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5683	4.384	8	123.5683	19.219	8	123.4327	14.061	44	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3764	3.803	24	123.3764	14.466	24	123.4327	14.061	44	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(CO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3630	3.270	4	123.3630	10.692	4	123.4327	14.061	44	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0897	2.054	8	122.0897	4.221	8	122.0897	4.221	8	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	B(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0757	4.463	4	123.0757	19.921	4	123.0757	19.921	4	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5332	3.814	12	123.5332	14.550	12	123.4323	14.905	32	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6183	3.752	4	123.6183	14.075	4	123.4323	14.905	32	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3123	5.027	4	123.3123	25.268	4	123.4323	14.905	32	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4335	3.862	8	123.4335	14.913	8	123.4323	14.905	32	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHP)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHP)(OS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0610	5.122	4	123.0610	26.237	4	123.4323	14.905	32	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]CN)	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]CN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8580	2.186	16	121.8580	4.777	16	121.8580	4.777	16	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	124.5845	1.817	2	124.5845	3.300	2	124.5845	3.300	2	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	121.1965	1.706	2	121.1965	2.911	2	121.2802	4.785	18	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	121.1826	2.864	8	121.1826	8.205	8	121.2802	4.785	18	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.6765	1.546	4	121.6765	2.391	4	121.2802	4.785	18	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	121.1210	2.083	4	121.1210	4.337	4	121.2802	4.785	18	122.8374	11.455	124	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6]3)	B(C[6]C[6]N[6])2(C[6]C[6]2Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	B(C[6]C[6]N[6])2(C[6]C[6]2Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1280	1.601	2	122.1280	2.563	2	122.1280	2.563	2	123.3730	12.625	23	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(CCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6490	0.584	3	123.6490	0.341	3	123.4805	14.363	15	123.3730	12.625	23	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CH3)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CH3)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5752	4.931	4	123.5752	24.319	4	123.4805	14.363	15	123.3730	12.625	23	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHS)(CRhC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CHHS)(CRhC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3699	4.263	8	123.3699	18.175	8	123.4805	14.363	15	123.3730	12.625	23	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OLiC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(OLiC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	123.1515	6.396	2	123.1515	40.906	2	123.1515	40.906	2	123.3730	12.625	23	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7035	3.130	4	123.7035	9.795	4	123.7035	9.795	4	123.3730	12.625	23	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:O-3:	C[6a]-3:C[6a]-3:F-2:	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OLiC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FLi)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(OLiC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FLi){1|C<3>,2|F<1>}	123.8045	6.591	2	123.8045	43.441	2	123.8045	43.441	2	123.8045	43.441	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCCH)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCCH)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8155	4.802	4	123.8155	23.058	4	123.7969	12.548	26	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.9955	3.204	11	123.9955	10.265	11	123.7969	12.548	26	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CHHS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)(CHHS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.6037	3.938	3	122.6037	15.508	3	123.7969	12.548	26	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.9621	3.890	8	123.9621	15.134	8	123.7969	12.548	26	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHN)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CHHN)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5332	1.381	4	122.5332	1.908	4	122.5520	6.157	122	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	122.5400	3.342	8	122.5400	11.166	8	122.5520	6.157	122	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5491	2.510	98	122.5491	6.299	98	122.5520	6.157	122	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHS)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CHHS)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5898	2.134	12	122.5898	4.553	12	122.5520	6.157	122	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BN[6]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	124.2655	0.500	2	124.2655	0.250	2	124.2655	0.250	2	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BN[5]CC)	B(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BN[5]CC){1|C<3>,2|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	123.1403	1.927	6	123.1403	3.714	6	123.1403	3.714	6	122.8041	7.199	156	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:3:5:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C-5:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CZrH3)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CZrH3)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3520	2.003	4	123.3520	4.014	4	123.3520	4.014	4	123.3520	4.014	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BBr2N)	B(C[6a]C[6a]2)(NCCH)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BBr2N){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NCCH)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7325	0.777	2	121.7325	0.604	2	121.7325	0.604	2	122.3404	0.690	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BHHN)	B(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BHHN){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0585	0.145	2	123.0585	0.021	2	123.0585	0.021	2	122.3404	0.690	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BHHP)	B(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BHHP){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.8715	0.308	2	122.8715	0.095	2	122.8715	0.095	2	122.3404	0.690	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:Si-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BBr2Si)	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BBr2Si){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.6990	0.977	2	121.6990	0.955	2	121.6990	0.955	2	122.3404	0.690	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<4>}	122.0850	0.000	1	122.0850	0.000	1	122.0850	0.000	1	122.9310	0.758	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	123.6800	0.000	1	123.6800	0.000	1	123.6800	0.000	1	122.9310	0.758	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BCHP)	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BCHP){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9795	0.996	2	122.9795	0.993	2	122.9795	0.993	2	122.9310	0.758	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(PC[6a]2F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(PC[6a]2F){1|C<3>,2|F<1>}	120.2890	0.000	1	120.2890	0.000	1	120.0575	0.107	2	120.0575	0.107	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2F){1|C<3>,2|H<1>}	119.8260	0.000	1	119.8260	0.000	1	120.0575	0.107	2	120.0575	0.107	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC3)	B(C[6a]C[6a]2)(CHHS)2(CHS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CHHS)2(CHS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.4700	3.579	2	122.4700	12.812	2	122.4700	12.812	2	122.4700	12.812	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC3)	B(C[6a]C[6a]2)(CHHP)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CHHP)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	122.1404	1.968	10	122.1404	3.874	10	122.5326	3.496	212	122.5326	3.496	212	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC3)	B(C[6a]C[6a]2)(CHHP)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CHHP)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5841	1.906	144	122.5841	3.631	144	122.5326	3.496	212	122.5326	3.496	212	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC3)	B(C[6a]C[6a]2)(CHHS)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CHHS)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.4722	1.784	58	122.4722	3.183	58	122.5326	3.496	212	122.5326	3.496	212	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	P-4:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BCl2P)	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BCl2P){1|C<3>,2|H<1>}	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.6055	0.564	2	121.6055	0.318	2	121.6055	0.318	2	122.4228	1.202	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BP[5]HH)	B(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BP[5]HH){1|C<3>,2|F<1>}	B(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2400	0.785	2	123.2400	0.616	2	123.2400	0.616	2	122.4228	1.202	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(BC[5]BH)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(BC[5]BH){1|C<3>,2|H<1>}	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.6275	3.691	4	122.6275	13.620	4	122.6275	13.620	4	122.6275	13.620	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	4:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BN[6]BF)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BN[6]BF){1|C<3>,2|H<1>}	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1753	2.128	4	122.1753	4.527	4	122.1753	4.527	4	122.1753	4.527	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:B-4:	C-4:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1440	4.511	4	123.1440	20.348	4	123.1440	20.348	4	123.1440	20.348	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[4,6a]-3:B-4:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H)	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.5980	0.071	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[5])(C[6a]C[6a]H)	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.5980	0.071	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.5835	0.254	2	120.5835	0.064	2	120.5835	0.064	2	120.5980	0.071	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[5])(C[6a]C[6a]H)	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	122.9770	1.280	3	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.8135	1.549	2	122.8135	2.400	2	122.8135	2.400	2	122.9770	1.280	3	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H)	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H){1|Rh<6>,2|C<3>,2|C<4>}	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<3>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]B)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]B)(H){1|C<3>,1|H<1>}	122.8033	1.392	10	122.8033	1.937	10	122.8033	1.937	10	122.8033	1.937	10	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0877	3.931	8	123.0877	15.456	8	123.0877	15.456	8	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1017	3.518	4	123.1017	12.374	4	123.1017	12.374	4	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2083	4.368	4	123.2083	19.078	4	123.2083	19.078	4	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.9724	2.337	8	121.9724	5.463	8	121.9724	5.463	8	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0002	5.046	8	123.0002	25.458	8	123.0012	18.095	12	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0030	2.635	4	123.0030	6.946	4	123.0012	18.095	12	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4183	4.429	4	123.4183	19.617	4	123.4183	19.617	4	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2655	3.724	16	123.2655	13.872	16	123.2655	13.872	16	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>}	116.0310	0.000	1	116.0310	0.000	1	120.6050	27.718	3	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.8920	4.904	2	122.8920	24.054	2	120.6050	27.718	3	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.5377	1.343	4	122.5377	1.803	4	122.5377	1.803	4	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[5]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7215	1.491	4	121.7215	2.222	4	121.7215	2.222	4	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0230	4.289	4	123.0230	18.397	4	123.0230	18.397	4	122.7972	12.310	71	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	121.8421	3.712	16	121.8421	13.781	16	121.8421	13.781	16	121.9867	12.415	21	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]HH)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]HH){1|C<3>,2|F<1>}	127.8730	0.000	1	127.8730	0.000	1	127.8730	0.000	1	121.9867	12.415	21	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	121.0938	1.068	4	121.0938	1.141	4	121.0938	1.141	4	121.9867	12.415	21	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0651	1.363	8	123.0651	1.857	8	123.0651	1.857	8	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5677	4.420	4	123.5677	19.532	4	123.5677	19.532	4	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6555	4.976	4	123.6555	24.758	4	123.6555	24.758	4	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.8809	4.613	8	122.8809	21.279	8	122.8809	21.279	8	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3247	3.685	4	123.3247	13.581	4	123.2843	18.586	8	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2438	5.457	4	123.2438	29.781	4	123.2843	18.586	8	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9627	5.122	4	122.9627	26.234	4	122.9627	26.234	4	123.1829	14.464	36	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.4642	5.461	4	122.4642	29.824	4	122.4642	29.824	4	122.1065	12.272	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.0388	3.557	20	122.0388	12.655	20	122.0388	12.655	20	122.1065	12.272	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.0970	2.671	8	122.0970	7.132	8	122.0970	7.132	8	122.1065	12.272	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[3]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2	B(C[3]C[3]P[3])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[3]C[3]P[3])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2077	3.299	12	123.2077	10.886	12	123.2077	10.886	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2747	4.816	6	123.2747	23.190	6	123.5079	14.877	102	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4726	3.800	90	123.4726	14.437	90	123.5079	14.877	102	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	124.2717	4.421	6	124.2717	19.546	6	123.5079	14.877	102	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.2030	1.443	12	122.2030	2.082	12	122.2030	2.082	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2337	4.321	6	123.2337	18.671	6	123.2337	18.671	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.8945	4.705	4	122.8945	22.141	4	122.8945	22.141	4	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1268	3.243	4	123.1268	10.517	4	123.1268	10.517	4	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.9413	4.874	3	123.9413	23.755	3	123.9413	23.755	3	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.4579	2.189	19	122.4579	4.792	19	122.4579	4.792	19	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.4655	1.516	4	122.3732	1.618	10	122.3732	1.618	10	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	122.1515	1.808	2	122.3732	1.618	10	122.3732	1.618	10	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	122.2830	1.351	2	122.3732	1.618	10	122.3732	1.618	10	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	122.5005	1.548	2	122.3732	1.618	10	122.3732	1.618	10	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[3]C[3]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(C[3]C[3]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.3593	2.004	12	122.3593	4.015	12	122.3593	4.015	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6518	4.516	18	123.6518	20.394	18	123.4986	17.620	30	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]S[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[5]S[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2688	3.852	12	123.2688	14.837	12	123.4986	17.620	30	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5417	2.600	12	122.5417	6.760	12	122.5417	6.760	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4129	4.414	18	123.4129	19.486	18	123.4129	19.486	18	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	122.0938	2.918	12	122.0938	8.513	12	122.3962	3.969	60	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.4718	1.721	48	122.4718	2.961	48	122.3962	3.969	60	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3785	3.667	12	123.3785	13.444	12	123.3785	13.444	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2721	4.123	90	123.2721	16.996	90	123.2721	16.996	90	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.3053	3.526	12	122.3053	12.430	12	122.3053	12.430	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1122	4.349	208	123.1122	18.916	208	123.1122	18.916	208	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1432	2.369	12	122.1432	5.610	12	122.1432	5.610	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9058	4.398	6	122.9058	19.344	6	122.9058	19.344	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1215	1.195	6	122.1215	1.429	6	122.1215	1.429	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:P[3]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4008	3.587	6	123.4008	12.867	6	123.4008	12.867	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2S[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(S[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2S[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(S[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4270	1.602	6	123.4270	2.565	6	123.4270	2.565	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:S[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(S[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(S[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3770	1.453	6	123.3770	2.111	6	123.3770	2.111	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(N[5]C[5]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[5]C[5]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.9479	1.637	14	121.9479	2.680	14	121.9479	2.680	14	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4260	2.410	4	123.4260	5.806	4	123.4180	12.972	8	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4100	4.946	4	123.4100	24.463	4	123.4180	12.972	8	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4112	2.272	4	123.4112	5.164	4	123.4112	5.164	4	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3328	4.351	36	123.3328	18.927	36	123.2920	19.552	48	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5,6a]S[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5,6a]S[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1252	5.617	6	123.1252	31.547	6	123.2920	19.552	48	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2143	4.438	6	123.2143	19.696	6	123.2920	19.552	48	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.6115	2.120	6	122.6115	4.495	6	122.2117	2.894	24	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1287	1.800	6	122.1287	3.240	6	122.2117	2.894	24	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0533	1.555	12	122.0533	2.418	12	122.2117	2.894	24	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(OReC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(OReC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.1129	1.323	8	122.1129	1.750	8	122.1819	2.306	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(ORhH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(ORhH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.3200	2.082	4	122.3200	4.334	4	122.1819	2.306	12	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2	B(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8281	1.122	36	121.8281	1.259	36	121.8281	1.259	36	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3325	4.640	6	123.3325	21.534	6	123.3325	21.534	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2597	3.031	4	123.2597	9.184	4	123.2597	9.184	4	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BN[5a]2N[5])(C[6a]C[6a]H)2	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BN[5a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7500	0.045	2	121.7500	0.002	2	121.7500	0.002	2	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0695	4.654	6	123.0695	21.664	6	123.0695	21.664	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2013	4.037	18	123.2013	16.300	18	123.2013	16.300	18	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	B(P[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(P[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5075	3.447	6	123.5075	11.879	6	123.5075	11.879	6	122.9785	13.032	856	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B[5]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1545	3.663	4	122.1545	13.420	4	122.1545	13.420	4	122.4425	4.197	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.2297	1.497	4	122.2297	2.241	4	122.2297	2.241	4	122.4425	4.197	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:3:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.7286	1.335	7	122.7286	1.781	7	122.7286	1.781	7	122.4425	4.197	15	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7057	2.137	4	123.7057	4.568	4	123.7057	4.568	4	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|F<2>}	120.6625	0.325	2	123.2548	13.876	16	123.2548	13.876	16	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6251	3.850	14	123.2548	13.876	16	123.2548	13.876	16	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3098	3.018	12	123.3098	9.106	12	123.3098	9.106	12	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[5]C[5]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(N[5]C[5]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5228	4.011	12	123.5228	16.092	12	123.5228	16.092	12	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3513	2.158	30	123.3513	4.657	30	123.3513	4.657	30	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(P[5]O[5]2C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(P[5]O[5]2C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5237	3.821	6	123.5237	14.601	6	123.5237	14.601	6	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3989	2.787	16	123.3989	7.768	16	123.4292	8.953	28	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4089	3.810	8	123.4089	14.516	8	123.4292	8.953	28	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5915	2.796	4	123.5915	7.820	4	123.4292	8.953	28	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.0692	0.530	4	122.0692	0.281	4	122.0692	0.281	4	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.9408	4.600	4	123.9408	21.161	4	123.9408	21.161	4	123.3675	8.891	116	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-2:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FV)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(FV){1|C<3>,2|F<1>}	126.8495	0.735	2	126.8495	0.540	2	126.8495	0.540	2	126.8495	0.540	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2W)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2W)(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2037	4.386	4	123.2037	19.234	4	123.2037	19.234	4	123.5219	10.836	24	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5160	2.967	8	123.5160	8.804	8	123.5160	8.804	8	123.5219	10.836	24	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6319	3.429	12	123.6319	11.758	12	123.6319	11.758	12	123.5219	10.836	24	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7509	3.536	12	123.7509	12.502	12	123.6696	12.014	16	123.6956	9.752	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4257	3.758	4	123.4257	14.124	4	123.6696	12.014	16	123.6956	9.752	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5433	5.122	4	123.5433	26.230	4	123.5433	26.230	4	123.6956	9.752	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7990	3.241	4	123.7990	10.505	4	123.7990	10.505	4	123.6956	9.752	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7719	1.292	8	123.7719	1.670	8	123.7719	1.670	8	123.6956	9.752	32	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.9532	1.553	4	123.9532	2.412	4	123.9532	2.412	4	123.8768	10.558	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8003	4.713	4	123.8003	22.208	4	123.8003	22.208	4	123.8768	10.558	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[6]N)(C[6a]C[6a]H)2	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5400	0.921	2	122.5400	0.848	2	122.5400	0.848	2	122.5400	0.848	2	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[3,3,5]-4:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2925	5.630	4	123.2925	31.693	4	123.2925	31.693	4	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6620	3.326	4	123.6620	11.062	4	123.6620	11.062	4	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<4>}	123.7095	5.375	2	123.1407	9.319	8	123.1407	9.319	8	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.9512	2.664	6	123.1407	9.319	8	123.1407	9.319	8	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2355	3.931	4	123.2355	15.453	4	123.1885	13.596	16	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.0875	3.180	4	123.0875	10.115	4	123.1885	13.596	16	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.2155	4.262	8	123.2155	18.168	8	123.1885	13.596	16	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P)	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	116.8190	2.324	2	116.8190	5.399	2	116.8190	5.399	2	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.6248	0.716	4	122.6248	0.513	4	122.6248	0.513	4	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	122.7862	4.702	8	122.7862	22.111	8	122.7862	22.111	8	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4698	5.305	4	123.4698	28.143	4	123.4698	28.143	4	122.8853	14.775	50	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P)	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Ru)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Ru){1|C<3>,2|H<1>}	127.7135	2.811	2	127.7135	7.900	2	127.7135	7.900	2	124.0280	21.267	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2	B(C[6]C[6]2Fe)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[6]C[6]2Fe)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.1852	4.385	4	122.1852	19.229	4	122.1852	19.229	4	124.0280	21.267	6	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1877	3.849	4	123.1877	14.814	4	123.1877	14.814	4	123.1877	14.814	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:2:	3:3:4:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	122.4513	5.072	4	122.4513	25.730	4	122.4513	25.730	4	122.4513	25.730	4	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.7530	6.018	4	123.7530	36.212	4	123.7530	36.212	4	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8922	1.173	6	123.8922	1.375	6	123.6887	9.636	30	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]2Cr)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]2Cr)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6231	3.859	18	123.6231	14.892	18	123.6887	9.636	30	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.6820	1.954	6	123.6820	3.818	6	123.6887	9.636	30	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.4595	4.929	4	123.4595	24.299	4	123.4062	20.029	12	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3918	3.838	4	123.3918	14.729	4	123.4062	20.029	12	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3675	5.866	4	123.3675	34.407	4	123.4062	20.029	12	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3054	4.232	8	123.3054	17.908	8	123.3054	17.908	8	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.8503	3.566	12	123.8503	12.719	12	123.8503	12.719	12	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6]C[6]2Ru)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6]C[6]2Ru)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5560	2.094	11	122.5560	4.386	11	122.5560	4.386	11	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	Ge[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2Ge[5])(C[6a]C[6a]F)2	B(Ge[5]C[5]2Hf)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2Ge[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(Ge[5]C[5]2Hf)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.3030	4.518	6	123.3030	20.412	6	123.3030	20.412	6	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	Ge[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2Ge[6])(C[6a]C[6a]F)2	B(Ge[6]N[6,6]N[6]Cl)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2Ge[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(Ge[6]N[6,6]N[6]Cl)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1297	3.064	6	123.1297	9.391	6	123.1297	9.391	6	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.1813	3.088	6	123.1813	9.533	6	123.1813	9.533	6	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	123.5787	1.400	6	123.5787	1.960	6	123.5787	1.960	6	123.4304	11.382	101	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[5]2)(C[6a]C[6a]H)2	B(C[5]C[5]2Fe)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5427	0.730	4	122.5427	0.532	4	122.5427	0.532	4	122.3086	3.415	24	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	B(C[6]C[6]2Cu)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6]C[6]2Cu)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.2244	2.068	12	122.2244	4.278	12	122.2618	4.037	20	122.3086	3.415	24	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	B(C[6]C[6]2Yb)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[6]C[6]2Yb)2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.3178	2.056	8	122.3178	4.228	8	122.2618	4.037	20	122.3086	3.415	24	122.7872	8.210	19953	122.7894	8.218	19974
643	610	643	0:SP2_SP2_SP3	C[6a]	B	C[6a]	4:3:3:	5:3:3:3:	3:3:1:	B-4:C[6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	122.5784	1.472	8	122.5784	2.167	8	122.5784	2.167	8	122.5784	2.167	8	122.7872	8.210	19953	122.7894	8.218	19974
643	610	769	0:SP2_SP2_SP3	C[6a]	B	C[4,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<4>,2|H<1>,3|C<3>}	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	124.7319	9.197	7	124.7319	9.197	7
643	610	769	0:SP2_SP2_SP3	C[6a]	B	C[4,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<4>,2|H<1>,3|C<3>}	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	124.7319	9.197	7	124.7319	9.197	7
643	610	769	0:SP2_SP2_SP3	C[6a]	B	C[4,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<4>,2|H<1>,3|C<3>}	124.8783	0.698	3	124.8783	0.487	3	124.8783	0.487	3	124.8783	0.487	3	124.7319	9.197	7	124.7319	9.197	7
643	610	769	0:SP2_SP2_SP3	C[6a]	B	C[4,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|B<4>,2|H<1>,3|C<3>}	127.0490	0.000	1	127.0490	0.000	1	127.0490	0.000	1	127.0490	0.000	1	124.7319	9.197	7	124.7319	9.197	7
643	610	769	0:SP2_SP2_SP3	C[6a]	B	C[4,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[4,6a]-3:B-4:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H)	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<3>,2|H<1>,3|C<3>}	128.4840	0.000	1	128.4840	0.000	1	128.4840	0.000	1	128.4840	0.000	1	124.7319	9.197	7	124.7319	9.197	7
643	611	643	0:SP2_SP2_SP2	C[6a,6a]	N[4,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[4,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[4,6a]-3:C[4]-4:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2)	N[4,6a](C[6a,6a]C[6a,6a]2)(C[4,6a]C[6a]S[4])(C[4]S[4]CH)	C[6a,6a](C[6a,6a]C[6a,6a]N[4,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	N[4,6a](C[6a,6a]C[6a,6a]2)(C[4,6a]C[6a]S[4])(C[4]S[4]CH){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[4,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	120.2607	2.820	9
643	611	643	0:SP2_SP2_SP2	C[6a]	N[4a,5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4a,5a]-3:C[6a]-3:C[6a]-3:	As[4a,5a,5a]-3:As[4a,5a,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4a,5a]As[4a,5a,5a]2)(C[6a]C[6a]2)2	N[4a,5a](As[4a,5a,5a]C[5a,5a]N[4a,5a])2(C[6a]C[6a]2)	C[6a](C[6a]N[4a,5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4a,5a]As[4a,5a,5a]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	N[4a,5a](As[4a,5a,5a]C[5a,5a]N[4a,5a])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]N[4a,5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|As<3>,1|H<1>,2|C<4>,4|C<3>}	120.4635	3.451	2	120.4635	11.912	2	120.4635	11.912	2	120.4635	11.912	2	120.4635	11.912	2	120.2607	2.820	9
643	611	643	0:SP2_SP2_SP2	C[6a]	N[4a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4a]-3:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4a]C[4a]2)	N[4a](C[4a]S[4a]C)(C[4a]S[4a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4a]C[4a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[4a](C[4a]S[4a]C)(C[4a]S[4a]N)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[4a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.8230	0.286	2	119.7393	0.304	6	119.7393	0.304	6	119.7393	0.304	6	119.7393	0.304	6	120.2607	2.820	9
643	611	643	0:SP2_SP2_SP2	C[6a]	N[4a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4a]-3:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4a]C[4a]2)	N[4a](C[4a]S[4a]C)(C[4a]S[4a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4a]C[4a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[4a](C[4a]S[4a]C)(C[4a]S[4a]N)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[4a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.6975	0.688	4	119.7393	0.304	6	119.7393	0.304	6	119.7393	0.304	6	119.7393	0.304	6	120.2607	2.820	9
643	611	643	0:SP2_SP2_SP3	C[6a]	N[4a,5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4a,5a]-3:C[6a]-3:C[6a]-3:	As[4a,5a,5a]-3:As[4a,5a,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4a,5a]As[4a,5a,5a]2)(C[6a]C[6a]2)2	N[4a,5a](As[4a,5a,5a]C[5a,5a]N[4a,5a])2(C[6a]C[6a]2)	C[6a](C[6a]N[4a,5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4a,5a]As[4a,5a,5a]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	N[4a,5a](As[4a,5a,5a]C[5a,5a]N[4a,5a])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]N[4a,5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|As<3>,1|H<1>,2|C<4>,4|C<3>}	120.7470	3.192	2	120.7470	10.188	2	120.7470	10.188	2	120.7470	10.188	2	120.7470	10.188	2	120.7470	10.188	2
643	611	643	6:SP2_SP2_SP2	C[6a,6a]	N[4,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[4,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[4,6a]-3:C[4]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2)	N[4,6a](C[6a,6a]C[6a,6a]2)(C[4,6a]C[6a]S[4])(C[4]S[4]CH)	C[6a,6a](C[6a,6a]C[6a,6a]N[4,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	N[4,6a](C[6a,6a]C[6a,6a]2)(C[4,6a]C[6a]S[4])(C[4]S[4]CH){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[4,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:B[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a,6a]B[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	123.0160	0.000	1	123.0160	0.000	1	123.6280	0.749	2	123.6280	0.749	2	124.2040	0.528	5	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:B[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a,6a]B[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	124.2400	0.000	1	124.2400	0.000	1	123.6280	0.749	2	123.6280	0.749	2	124.2040	0.528	5	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](B[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]B[6,6])(C[6a]C[6a]H)(CCH)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,8|C<3>}	C[6a](C[6,6a]C[6,6a]B[6,6])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	124.5880	0.359	3	124.5880	0.129	3	124.5880	0.129	3	124.5880	0.129	3	124.2040	0.528	5	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(B[6]N[6]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(B[6]N[6]H){1|B<3>,1|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.9335	0.401	2	120.9335	0.161	2	120.9335	0.161	2	122.0498	0.579	10	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(Br){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H){1|Br<1>,1|Cl<1>,1|B<3>,2|C<3>}	122.6220	0.190	2	122.6220	0.036	2	122.1265	0.429	4	122.0498	0.579	10	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|F<1>,1|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(Br){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(H){1|Br<1>,1|B<3>,1|F<1>,2|C<3>}	121.6310	0.518	2	121.6310	0.268	2	122.1265	0.429	4	122.0498	0.579	10	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]Br)	B[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]Br){1|Br<1>,1|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(Br){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]B[6])(H){1|Br<1>,1|B<3>,1|H<1>,4|C<3>}	122.5312	0.327	4	122.5312	0.107	4	122.5312	0.107	4	122.0498	0.579	10	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]O[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.8985	0.045	2	121.8985	0.002	2	121.8985	0.002	2	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br){1|O<2>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|Br<1>,1|B<3>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(Br){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	126.9040	0.000	1	126.9040	0.000	1	126.9040	0.000	1	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]F)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]F){1|O<2>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(F){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	124.4075	0.125	2	124.4075	0.016	2	123.8025	0.497	4	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[6,6a]O)(C[6a]C[6a]F)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[6,6a]O)(C[6a]C[6a]F){2|F<1>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|C<4>,2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	123.1975	0.108	2	123.1975	0.012	2	123.8025	0.497	4	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|Br<1>,1|B<3>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	116.9080	0.000	1	120.5889	4.163	7	120.5889	4.163	7	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	119.7095	0.077	2	120.5889	4.163	7	120.5889	4.163	7	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	121.9487	0.909	4	120.5889	4.163	7	120.5889	4.163	7	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:N[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]N[6]O)	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]N[6]O){3|C<3>,3|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	125.1255	0.159	2	125.1255	0.025	2	125.1255	0.025	2	122.5178	6.183	16	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]O)(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	123.8750	0.000	1	123.8750	0.000	1	123.8750	0.000	1	123.8750	0.000	1	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(F)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){2|F<1>,2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|F<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,3|C<3>}	124.1515	0.295	2	124.1515	0.087	2	124.1515	0.087	2	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	120.9890	0.137	2	120.9890	0.019	2	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|B<3>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	121.0760	0.164	2	121.0760	0.027	2	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	120.6680	0.000	1	120.6680	0.000	1	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|B<3>,3|C<3>}	120.3100	0.095	2	120.3100	0.009	2	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]F)(H){1|B<3>,1|F<1>,3|C<3>}	119.7370	0.311	2	119.7370	0.097	2	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	120.8468	0.490	6	121.0744	0.642	9	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,4|C<3>}	120.5420	0.000	1	121.0744	0.642	9	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	122.0235	1.241	2	121.0744	0.642	9	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]O)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	121.7905	0.356	2	121.4472	0.275	4	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]O)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	121.1040	0.478	2	121.4472	0.275	4	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	120.1033	0.210	4	120.0168	0.072	10	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|Se<1>,2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	120.1157	0.237	4	120.0168	0.072	10	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	119.6460	0.071	2	120.0168	0.072	10	120.6412	0.562	32	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]B[6])(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]B[6])(H){1|B<3>,1|S<2>,5|C<3>}	120.6845	0.224	2	120.6845	0.050	2	120.5810	0.049	4	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]B[6])(H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]B[6])(H){1|B<3>,1|H<1>,5|C<3>}	120.4775	0.234	2	120.4775	0.055	2	120.5810	0.049	4	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|H<1>,4|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.2970	0.000	1	122.2970	0.000	1	122.2970	0.000	1	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	124.1640	0.000	1	124.1640	0.000	1	122.1303	3.128	3	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.1135	0.230	2	121.1135	0.053	2	122.1303	3.128	3	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]N[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H)	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9595	0.301	2	120.9595	0.090	2	120.9595	0.090	2	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C[5])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	122.7622	0.332	4	122.7622	0.110	4	122.7622	0.110	4	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.5750	0.389	2	121.5750	0.151	2	121.5750	0.151	2	121.1190	1.369	50	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,4|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	127.4810	0.000	1	128.0175	0.576	2	128.0175	0.576	2	128.0175	0.576	2	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	128.5540	0.000	1	128.0175	0.576	2	128.0175	0.576	2	128.0175	0.576	2	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	121.0070	0.188	2	121.0070	0.035	2	121.0070	0.035	2	120.8257	0.061	4	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]C)	B[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]C){1|C<4>,1|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]B[6])(H){1|B<3>,1|C<4>,1|H<1>,4|C<3>}	120.6445	0.124	2	120.6445	0.015	2	120.6445	0.015	2	120.8257	0.061	4	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6,6a]	B[6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]C[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,3|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.7990	0.000	1	121.7990	0.000	1	121.7990	0.000	1	121.7990	0.000	1	121.6875	3.400	84	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6]C[6,6a]2)(C[6a]C[6a]C)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6]C[6,6a]2)(C[6a]C[6a]C){2|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|B<3>,1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.4807	0.021	3	120.4807	0.021	3	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(B[6]C[6,6a]2)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a,6a](C[6a]C[6a,6a]B[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(B[6]C[6,6a]2){2|H<1>,9|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a,6a](C[6a]C[6a,6a]B[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	120.5550	0.089	2	120.5550	0.008	2	120.5550	0.008	2	120.4807	0.021	3	120.4807	0.021	3	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[6]O[6]2){1|C<3>,2|B<4>,2|F<1>}	B[6](C[6a]C[6a]2)(O[6]B[6])2{1|O<2>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|O<2>}	122.8415	0.463	2	122.8415	0.215	2	122.8415	0.215	2	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[5,6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]B[5,6])2{1|C<4>,1|H<1>,1|O<2>,2|N<4>,4|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	118.2140	0.000	1	118.2140	0.000	1	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[6,6a])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]B[6,6a])2{1|H<1>,1|O<2>,2|N<4>,5|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	116.7450	0.000	1	116.7450	0.000	1	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	117.7340	0.000	1	117.7340	0.000	1	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|O<2>}	119.6490	0.000	1	119.6490	0.000	1	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[6,6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|C<3>,2|H<1>,2|N<3>,3|O<2>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.9520	0.925	2	121.9520	0.855	2	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]B[6])2{1|O<3>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.2055	1.995	2	121.2055	3.979	2	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	120.4540	0.723	2	121.5258	3.649	16	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.6589	0.822	10	121.5258	3.649	16	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.7290	3.894	4	121.5258	3.649	16	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	121.8985	0.708	2	121.8985	0.501	2	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.1665	1.256	4	121.1665	1.578	4	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]N[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]N[6]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.0305	1.703	2	121.0305	2.902	2	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>}	121.1440	1.499	4	121.2628	1.174	20	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	121.7078	0.292	4	121.2628	1.174	20	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	121.1541	1.140	12	121.2628	1.174	20	121.1317	2.684	52	121.1951	2.693	54	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[6,6a])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]B[6,6a])2{1|H<1>,1|O<2>,2|N<4>,5|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	126.4380	0.000	1	126.4380	0.000	1	124.6100	6.683	2	124.6100	6.683	2	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|O<2>}	122.7820	0.000	1	122.7820	0.000	1	124.6100	6.683	2	124.6100	6.683	2	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]B[5,6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]B[5,6])2{1|C<4>,1|H<1>,1|O<2>,2|N<4>,4|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,2|O<2>}	124.0570	0.000	1	124.0570	0.000	1	124.2535	0.077	2	124.2535	0.077	2	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2)	B[6](C[6a]C[6a]2)(O[6]C[6])2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[6]O[6]2){1|C<3>,2|C<4>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6])2{2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,2|O<2>}	124.4500	0.000	1	124.4500	0.000	1	124.2535	0.077	2	124.2535	0.077	2	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]O[6])(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]O[6])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	120.6123	0.700	4	120.6123	0.489	4	120.6123	0.489	4	120.6123	0.489	4	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]F)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	122.2985	0.320	2	122.2985	0.103	2	122.2985	0.103	2	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]H)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.1695	1.435	2	123.1695	2.058	2	123.1695	2.058	2	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[6]C[6]N[6])(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](B[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zr<15>,1|C<4>,2|C<3>,3|H<1>}	B[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H){1|H<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7745	2.826	2	121.6560	5.328	4	121.6560	5.328	4	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[6]C[6]N[6])(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](B[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zr<15>,1|C<4>,2|C<3>,3|H<1>}	B[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.5375	2.818	2	121.6560	5.328	4	121.6560	5.328	4	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[6]C[6]2)	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[6]C[6]2){2|F<1>,5|C<3>}	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	122.2810	2.855	2	122.2810	8.153	2	122.2810	8.153	2	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	N[6]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]N[6]2)	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]N[6]2){1|B<3>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.5220	2.137	4	121.5220	4.567	4	121.5220	4.567	4	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[6]N[6]2)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[6]N[6]2){2|F<1>,5|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|N<3>}	122.3715	7.021	2	122.3715	49.293	2	122.3715	49.293	2	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[6]N[6]2)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[6]N[6]2){2|H<1>,5|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.6185	1.638	2	121.6185	2.684	2	121.6185	2.684	2	122.0106	5.706	18	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[5a,6]2)(C[6a]C[6a]C)2	B[6](C[5a,6]C[5a,6]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CF3)	C[6a](B[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|S<2>,3|C<3>}	B[6](C[5a,6]C[5a,6]S[5a])2(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CF3){2|C<4>,3|C<3>}	122.0860	0.156	2	122.0860	0.024	2	121.0507	1.098	6	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[5a,6]2)(C[6a]C[6a]C)2	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[5a,6]2)(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	B[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2){1|B<3>,1|S<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.5330	0.866	4	120.5330	0.751	4	121.0507	1.098	6	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]C[6,6])(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]C[6,6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|H<1>,4|C<4>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	121.3355	1.397	2	121.3355	1.950	2	121.3355	1.950	2	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.8245	1.038	4	120.8245	1.077	4	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.9510	0.919	2	120.9510	0.845	2	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CCCH)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	120.5108	1.249	4	120.5108	1.560	4	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	121.2745	3.099	2	120.7246	2.295	26	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.6954	1.386	14	120.7246	2.295	26	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	121.3665	2.521	2	120.7246	2.295	26	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.4778	1.441	8	120.7246	2.295	26	120.7245	1.899	36	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]C[6,6a]N[6])(C[6a]C[6a]C)2	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]C[6,6a]N[6])(C[6a]C[6a]C)2{1|B<3>,3|C<3>,3|H<1>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	120.7678	0.903	4	120.7678	0.816	4	120.7678	0.816	4	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6]C[6,6a]2)(C[6a]C[6a]C)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6]C[6,6a]2)(C[6a]C[6a]C){2|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|B<3>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]B[6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1	120.7809	1.624	49	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:3:4:	3:3:4:	B[6]-3:C[6a]-3:C[6a]-3:	B[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[6]B[6]P[6])(C[6a]C[6a]C)2	B[6](B[6]C[6a]P[6])(C[6a]C[6a]2)(P[6]C[6]CC)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	C[6a](B[6]B[6]P[6])(C[6a]C[6a]C)2{1|P<4>,2|C<3>,2|H<1>,3|C<4>}	B[6](B[6]C[6a]P[6])(C[6a]C[6a]2)(P[6]C[6]CC){2|H<1>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	121.7643	0.584	4	121.7643	0.341	4	121.7643	0.341	4	121.7643	0.341	4	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[6]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](B[6]C[6]O[6])(C[6a]C[6a]F)2{1|C<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	122.4815	0.248	2	122.4815	0.062	2	122.8192	0.165	6	122.8192	0.165	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[6]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](B[6]C[6]O[6])(C[6a]C[6a]F)2{1|C<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	122.9880	0.374	4	122.9880	0.140	4	122.8192	0.165	6	122.8192	0.165	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[6]C[6,6a]C[6])(C[6a]C[6a]H)2	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](B[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,3|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.8015	1.003	2	121.8015	1.007	2	121.8015	1.007	2	122.2217	1.763	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[6]C[6]2)	B[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[6]C[6]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	B[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|H<1>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	122.4317	1.558	4	122.4317	2.426	4	122.4317	2.426	4	122.2217	1.763	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:B[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[6]C[6]2)	B[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|P<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<3>,2|C<4>,2|F<1>}	123.4280	0.045	2	123.4280	0.002	2	123.4280	0.002	2	123.4280	0.002	2	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[6]C[5,6]2)(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F)	C[6a](B[6]C[5,6]2)(C[6a]C[6a]F)2{2|Fe<10>,1|C<3>,2|F<1>,4|C<4>}	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2){1|B<3>,2|C<3>,2|F<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]F)(F){1|C<3>,2|C<4>,2|F<1>}	122.7805	0.954	2	122.7805	0.910	2	122.7805	0.910	2	122.1018	1.153	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[6]C[5,6]2)(C[6a]C[6a]H)2	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](B[6]C[5,6]2)(C[6a]C[6a]H)2{2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.9640	0.506	2	121.7625	1.158	4	121.7625	1.158	4	122.1018	1.153	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	0:SP2_SP2_SP2	C[6a]	B[6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	B[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[6]C[5,6]2)(C[6a]C[6a]H)2	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H)	C[6a](B[6]C[5,6]2)(C[6a]C[6a]H)2{2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.5610	1.748	2	121.7625	1.158	4	121.7625	1.158	4	122.1018	1.153	6	121.4113	2.877	153	121.5559	3.126	246
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	118.7295	1.256	4	118.7295	1.578	4	118.7295	1.578	4	118.7542	1.186	5	118.7542	1.186	5	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6a]-3:B[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:B[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6a,6a]C[6,6a])(B[6,6,6a]C[6,6a,6a]2)	C[6,6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2){9|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2){1|B<3>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6a,6a]C[6,6a])(B[6,6,6a]C[6,6a,6a]2){9|C<3>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	118.7542	1.186	5	118.7542	1.186	5	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2	C[6,6a,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2{2|C<4>,7|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	118.6650	0.281	4	118.6650	0.281	4	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:B[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(B[3x6]C[6,6,6a]2)	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(B[3x6]C[6,6,6a]2){9|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2){1|B<3>,8|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	118.8795	0.432	2	118.8795	0.187	2	118.8795	0.187	2	118.6650	0.281	4	118.6650	0.281	4	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:B[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]2)	C[6,6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2){9|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2){1|B<3>,8|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]2){9|C<3>}	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	118.6650	0.281	4	118.6650	0.281	4	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,3|H<1>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.3110	0.532	4	118.3110	0.283	4	118.7270	0.598	6	119.0467	0.655	9	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{1|O<1>,2|C<4>,2|H<1>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.5590	0.255	2	119.5590	0.065	2	118.7270	0.598	6	119.0467	0.655	9	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6a]-3:B[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2){9|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2){1|B<3>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,2|H<1>,7|C<3>}	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.0467	0.655	9	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:B[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2)	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2){9|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a,6a]2){1|B<3>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,2|H<1>,7|C<3>}	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	119.0467	0.655	9	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	119.0467	0.655	9	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.9015	1.826	2	119.8237	1.260	4	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,4|C<3>}	119.7460	0.648	2	119.8237	1.260	4	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.3900	0.557	2	119.3900	0.310	2	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{1|O<1>,2|C<4>,2|H<1>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.7455	0.152	2	119.7577	1.265	53	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,3|H<1>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.8688	0.338	4	119.7577	1.265	53	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,4|H<1>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.0066	1.069	16	119.7577	1.265	53	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.5602	0.393	6	119.7577	1.265	53	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.6758	0.398	9	119.7577	1.265	53	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	119.3526	1.578	16	119.7577	1.265	53	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	B[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,4|H<1>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.8837	1.226	16	118.8837	1.502	16	119.5649	1.380	75	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.4702	0.849	4	119.4702	0.721	4	119.4702	0.721	4	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	B[3x6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)2{2|C<4>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	119.5563	1.305	81	119.5053	1.255	90	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[6,6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:B[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2)	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2){2|H<1>,4|C<4>,5|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.4125	0.183	2	120.6433	0.177	3	120.6433	0.177	3	120.6433	0.177	3	120.6433	0.177	3	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6,6a]	B[6,6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:B[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2)	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2){2|H<1>,4|C<4>,5|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	121.1050	0.000	1	120.6433	0.177	3	120.6433	0.177	3	120.6433	0.177	3	120.6433	0.177	3	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6,6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	B[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]B[6,6]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6,6a,6a](B[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]B[6,6]C[6a]){2|H<1>,7|C<3>}	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	117.9540	0.001	2	117.9540	0.001	2	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6,6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]B[6,6]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6,6]C[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]B[6,6]C[6a])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.9540	0.001	2	117.9540	0.001	2	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6,6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](B[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,8|C<3>}	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	117.8073	0.425	3	117.8073	0.180	3	117.8073	0.180	3	117.8073	0.180	3	117.8073	0.180	3	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(B[6]N[6]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a,6a](C[6,6a]C[6a]B[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(B[6]N[6]H){1|B<3>,1|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]B[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,6|H<1>}	120.6850	0.669	2	120.6850	0.447	2	120.6850	0.447	2	120.6850	0.447	2	120.0248	0.719	10	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]O[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6,6a,6a](C[6,6a]C[6a]B[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]B[6])2(C[6a,6a]C[6a]2){1|O<2>,4|C<3>,4|H<1>}	119.3565	0.015	2	119.3565	0.000	2	119.3565	0.000	2	119.3565	0.000	2	120.0248	0.719	10	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]B[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|H<1>,4|C<4>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]B[6])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	120.0275	0.851	6	120.0248	0.719	10	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]B[6])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]B[6]){2|C<4>,2|H<1>,5|C<3>}	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	120.0275	0.851	6	120.0248	0.719	10	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]B[6]){3|H<1>,6|C<3>}	119.9040	0.684	2	119.9040	0.469	2	119.9040	0.469	2	120.0275	0.851	6	120.0248	0.719	10	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]N[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H)	C[6,6a,6a](C[6,6a]C[6a]B[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[6]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]B[6])2(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	120.2585	0.262	2	120.2585	0.069	2	120.2585	0.069	2	120.0275	0.851	6	120.0248	0.719	10	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(Br){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|H<1>,3|C<3>}	118.7600	0.909	2	118.9243	0.462	4	118.9243	0.462	4	118.6936	0.316	8	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|F<1>,1|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(Br){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]Br)(C[6a]C[6a]H){1|Br<1>,1|F<1>,1|H<1>,3|C<3>}	119.0885	0.671	2	118.9243	0.462	4	118.9243	0.462	4	118.6936	0.316	8	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]Br)	B[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]Br)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]Br){1|Br<1>,1|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(Br){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]Br){1|Br<1>,1|H<1>,4|C<3>}	118.4630	0.366	4	118.4630	0.134	4	118.4630	0.134	4	118.6936	0.316	8	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br){1|O<2>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|Br<1>,1|B<3>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	116.5480	0.000	1	116.5480	0.000	1	119.8053	2.388	10	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]F)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]F){1|O<2>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	119.7210	0.222	2	119.7210	0.049	2	119.8053	2.388	10	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|Br<1>,1|B<3>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]Br){1|O<2>,2|H<1>,3|C<3>}	122.6910	0.000	1	122.6910	0.000	1	119.8053	2.388	10	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]F){1|O<2>,2|H<1>,3|C<3>}	120.4380	0.252	2	120.4380	0.063	2	119.8053	2.388	10	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	119.6240	0.707	4	119.6240	0.500	4	119.8053	2.388	10	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]O)(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:N[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]N[6]O)	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]N[6]O){3|C<3>,3|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	117.2820	0.116	2	117.2820	0.013	2	117.2820	0.013	2	119.2042	3.101	13	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[6,6a]O)(C[6a]C[6a]F)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[6,6a]O)(C[6a]C[6a]F){2|F<1>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|C<4>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){1|O<2>,2|F<1>,3|C<3>}	119.5810	0.151	2	119.5810	0.023	2	119.5810	0.023	2	119.5810	0.023	2	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	120.3750	0.120	4	120.3750	0.014	4	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.3395	0.179	2	120.3395	0.032	2	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|B<3>,1|C<4>,2|H<1>,7|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.3260	0.229	2	120.3260	0.052	2	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,6|C<3>}	120.7170	0.197	2	120.7409	0.251	14	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,6|C<3>}	121.1685	0.261	2	120.7409	0.251	14	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.4640	0.000	1	120.7409	0.251	14	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	121.1170	0.000	1	120.7409	0.251	14	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.4153	0.509	6	120.7409	0.251	14	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.2640	0.296	2	120.7409	0.251	14	120.6001	0.198	22	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.5130	0.109	2	119.5403	0.038	4	119.5403	0.038	4	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.5675	0.313	2	119.5403	0.038	4	119.5403	0.038	4	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.1245	0.074	2	123.1245	0.006	2	123.1245	0.006	2	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C[5])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2){1|B<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	119.7255	0.165	4	119.7255	0.027	4	119.7255	0.027	4	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.2660	0.232	2	120.2660	0.054	2	120.2660	0.054	2	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,4|C<4>,6|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	114.4280	0.000	1	114.0020	0.363	2	114.0020	0.363	2	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,1|H<1>,4|C<4>,6|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	113.5760	0.000	1	114.0020	0.363	2	114.0020	0.363	2	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(C[6a]C[5,6a]H)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,6|C<3>}	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	120.1397	2.910	37	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:4:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){2|F<1>,2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|F<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){2|F<1>,4|C<3>}	119.2435	0.422	2	119.2435	0.178	2	119.2435	0.178	2	119.2435	0.178	2	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	4:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.8483	0.509	4	122.8483	0.259	4	122.9313	0.192	8	122.9313	0.192	8	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:3:	4:3:3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](P[6]C[6,6a]C[6a]Se)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|Se<1>,2|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]Se)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.0143	0.413	4	123.0143	0.170	4	122.9313	0.192	8	122.9313	0.192	8	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.6505	0.484	2	120.6505	0.235	2	120.6505	0.235	2	120.6605	0.083	4	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]C)	B[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]C){1|C<4>,1|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a,6a]H)(B[6]C[6,6a]C){1|C<4>,1|H<1>,4|C<3>}	120.6705	0.124	2	120.6705	0.015	2	120.6705	0.015	2	120.6605	0.083	4	120.1091	3.239	75	119.7062	2.144	192
643	618	643	6:SP2_SP2_SP2	C[6,6a]	B[6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]C[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,3|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	120.1091	3.239	75	119.7062	2.144	192
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a]){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a]){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	117.2135	0.066	2	117.2135	0.004	2	117.2135	0.004	2	116.3188	1.029	5	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|O<2>,5|C<3>}	116.2095	0.142	2	116.2095	0.020	2	116.2095	0.020	2	116.3188	1.029	5	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|H<1>,7|C<3>}	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	116.3188	1.029	5	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	114.3640	1.432	4	114.3640	2.052	4	114.3640	2.052	4	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]2)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	114.1850	0.201	2	114.1850	0.040	2	114.7062	0.376	4	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]2)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)2{2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	115.2275	0.033	2	115.2275	0.001	2	114.7062	0.376	4	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.3350	0.000	1	115.3350	0.000	1	115.1277	0.232	6	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	114.5490	0.000	1	114.8080	0.134	2	115.1277	0.232	6	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	115.0670	0.000	1	114.8080	0.134	2	115.1277	0.232	6	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	115.2717	0.598	3	115.2717	0.357	3	115.1277	0.232	6	114.7891	0.760	14	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,3|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	115.5450	0.000	1	115.5450	0.000	1	115.5450	0.000	1	115.5450	0.000	1	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]S[6])	O[6](C[6,6a]C[6,6a,6a]C[6,6a])(S[6]O[6]OO)	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]S[6]){1|O<2>,3|O<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6,6a])(S[6]O[6]OO){4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6])	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H){2|B<4>,4|C<3>}	118.6757	0.875	3	118.6757	0.766	3	118.6757	0.766	3	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.5375	0.037	2	116.5375	0.001	2	116.0760	0.566	8	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	116.7350	0.000	1	116.7350	0.000	1	116.0760	0.566	8	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	116.1833	0.787	3	116.1833	0.619	3	116.0760	0.566	8	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	115.1240	0.127	2	115.1240	0.016	2	116.0760	0.566	8	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	117.0369	2.321	13	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6]C[6]O[6])	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6]C[6]O[6]){2|C<3>,3|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.9735	0.275	2	118.9735	0.076	2	116.2058	2.037	17	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,4|C<4>}	114.1320	0.588	2	114.1320	0.346	2	116.2058	2.037	17	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	115.8100	0.000	1	115.8100	0.000	1	116.2058	2.037	17	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.1955	0.243	2	115.1955	0.059	2	116.2058	2.037	17	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	116.5237	0.464	9	116.5237	0.216	9	116.2058	2.037	17	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	114.3730	0.000	1	114.3730	0.000	1	116.2058	2.037	17	116.3830	2.483	18	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[4,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6])	O[6](C[4,6]C[4,6]2C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[4,6]C[4,6]2C[6a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	115.6140	0.000	1	115.6140	0.000	1	115.7165	0.021	2	115.7165	0.021	2	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.8190	0.000	1	115.8190	0.000	1	115.7165	0.021	2	115.7165	0.021	2	116.0150	2.289	56	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	113.8265	0.176	2	113.8265	0.031	2	113.8265	0.031	2	113.8265	0.031	2	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	112.9120	0.000	1	112.9280	0.001	2	112.9280	0.001	2	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|N<2>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	112.9440	0.000	1	112.9280	0.001	2	112.9280	0.001	2	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	115.1360	0.000	1	115.1360	0.000	1	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.8080	0.000	1	113.8080	0.000	1	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.4575	0.053	2	114.4575	0.003	2	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.8494	0.311	8	113.8494	0.097	8	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){4|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.5730	0.000	1	114.5730	0.000	1	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	115.6740	0.083	2	115.6740	0.007	2	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	116.6115	0.029	2	116.6115	0.001	2	114.5764	1.034	17	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,4|C<3>}	115.7020	0.619	2	115.7020	0.384	2	115.7020	0.384	2	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.8170	0.000	1	114.8170	0.000	1	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.1180	0.098	2	114.1180	0.010	2	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.9930	0.000	1	113.9930	0.000	1	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.6462	0.746	4	114.6462	0.556	4	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.3330	0.000	1	114.5325	1.932	15	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.0130	0.119	2	114.5325	1.932	15	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.2330	0.050	3	114.5325	1.932	15	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.9965	0.186	2	114.5325	1.932	15	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.7051	2.062	7	114.5325	1.932	15	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.2870	0.000	1	114.1150	0.117	16	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.0800	0.000	1	114.1150	0.117	16	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.7290	0.329	3	114.1150	0.117	16	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.1985	0.241	4	114.1150	0.117	16	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.2350	0.392	6	114.1150	0.117	16	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	114.0820	0.000	1	114.1150	0.117	16	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.7380	0.000	1	114.4625	0.152	2	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.1870	0.000	1	114.4625	0.152	2	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	114.0320	0.000	1	114.0320	0.000	1	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.9320	0.000	1	113.9320	0.000	1	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.3280	0.000	1	115.3280	0.000	1	114.3563	0.793	44	114.4113	0.927	65	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]O[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]O[6]HH)	C[6a,6a](C[6,6a]C[6,6,6a]O[6])(C[6a,6a]C[6a]2)(O[6a]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]O[6a])(O[6]C[6]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6,6a]O[6])(C[6a,6a]C[6a]2)(O[6a]C[6,6a]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	116.1487	2.960	3	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	115.1570	0.139	2	115.1570	0.019	2	115.1570	0.019	2	116.1487	2.960	3	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[5,6]C[5,6a]2N[6])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[5,6]C[5,6a]2N[6]){9|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	118.5100	0.461	2	118.5100	0.213	2	118.5100	0.213	2	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[3x6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	118.5170	0.232	2	118.5170	0.054	2	118.5170	0.054	2	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2){9|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	118.4130	0.000	1	118.4130	0.000	1	117.3760	0.513	4	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|I<1>,2|H<1>,3|C<3>}	117.1560	0.000	1	117.0303	0.052	3	117.3760	0.513	4	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	116.9675	0.285	2	117.0303	0.052	3	117.3760	0.513	4	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	118.5800	0.000	1	118.5800	0.000	1	118.6435	0.243	4	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	118.6647	0.602	3	118.6647	0.362	3	118.6435	0.243	4	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.6975	0.057	2	112.6310	0.015	3	112.6310	0.015	3	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.4980	0.000	1	112.6310	0.015	3	112.6310	0.015	3	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.7805	0.146	2	113.7805	0.021	2	113.7805	0.021	2	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|O<2>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	115.2120	0.000	1	115.2120	0.000	1	114.8347	0.325	6	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	113.9560	0.000	1	113.9560	0.000	1	114.8347	0.325	6	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H){1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.8620	0.215	2	114.8620	0.046	2	114.8347	0.325	6	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.5280	0.000	1	114.5280	0.000	1	114.8347	0.325	6	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6]){1|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	115.5880	0.000	1	115.5880	0.000	1	114.8347	0.325	6	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,4|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	116.2670	0.000	1	116.2670	0.000	1	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	116.4980	0.000	1	116.4980	0.000	1	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5]){1|N<2>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	116.4820	0.000	1	116.4820	0.000	1	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,1|O<2>,1|S<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.9010	0.000	1	117.1250	0.100	2	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,2|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.3490	0.000	1	117.1250	0.100	2	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.2500	0.000	1	117.2500	0.000	1	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.0920	0.000	1	116.0920	0.000	1	116.6913	0.235	7	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.7147	0.278	6	113.7147	0.077	6	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.1630	0.000	1	115.1630	0.000	1	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	114.5775	0.002	2	114.5775	0.000	2	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.3520	0.000	1	114.3520	0.000	1	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){1|H<1>,3|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	116.1910	0.000	1	115.4525	0.333	4	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.0250	0.274	2	115.4525	0.333	4	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){4|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.5690	0.000	1	115.4525	0.333	4	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.6120	0.000	1	114.6120	0.000	1	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|O<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.8690	0.000	1	115.8690	0.000	1	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	116.7360	0.000	1	116.7360	0.000	1	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.8955	0.069	2	114.8955	0.005	2	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6]){1|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	116.1490	0.000	1	116.1490	0.000	1	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.4690	0.558	3	113.4690	0.312	3	114.6231	1.026	23	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	118.1830	0.000	1	118.1830	0.000	1	116.8520	1.021	5	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O){2|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.5192	0.790	4	116.5192	0.624	4	116.8520	1.021	5	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	113.5780	0.146	2	113.5780	0.021	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	113.6893	0.965	4	113.6893	0.931	4	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.7210	0.000	1	114.7210	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	113.7610	0.277	6	113.7610	0.077	6	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	114.1915	1.133	2	114.1915	1.285	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.4520	0.000	1	112.8290	0.776	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.2060	0.000	1	112.8290	0.776	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){1|C<2>,2|C<4>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.7130	0.000	1	113.4553	0.082	4	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){2|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.3693	0.281	3	113.4553	0.082	4	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.8055	0.043	2	113.8055	0.002	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH){5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.0040	0.204	2	114.0040	0.041	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.4110	0.000	1	117.4110	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.7090	0.000	1	114.7090	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	114.5450	0.000	1	114.5450	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,3|C<3>}	116.1040	0.000	1	116.1040	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	117.3050	0.467	2	117.3050	0.218	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.3560	0.000	1	115.0380	0.930	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.7200	0.000	1	115.0380	0.930	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.8600	0.000	1	114.8600	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.3570	0.000	1	114.3570	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.1680	0.000	1	114.1680	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.6538	0.251	4	113.8741	0.282	8	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.8480	0.000	1	113.8741	0.282	8	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.8433	0.566	3	113.8741	0.282	8	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	114.3210	0.000	1	114.3210	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.7680	0.382	2	114.7680	0.146	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.3120	0.000	1	115.3120	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.3425	0.042	2	114.5564	0.532	5	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	114.0323	0.182	3	114.5564	0.532	5	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.3930	0.000	1	114.3930	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.3410	0.000	1	112.3410	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]OO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]OO){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.1000	0.000	1	114.1000	0.000	1	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	115.6180	0.000	1	115.1933	0.148	3	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.0920	0.000	1	115.1933	0.148	3	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.8700	0.000	1	115.1933	0.148	3	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.3260	0.000	1	114.7950	4.688	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.2640	0.000	1	114.7950	4.688	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	113.6570	0.000	1	113.3250	0.220	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.9930	0.000	1	113.3250	0.220	2	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.4847	0.466	4	117.4847	0.217	4	114.4636	1.704	67	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	114.0030	0.000	1	114.0030	0.000	1	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	115.6210	0.000	1	115.0495	0.653	2	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.4780	0.000	1	115.0495	0.653	2	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6]){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	114.0050	0.000	1	114.0050	0.000	1	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	115.5500	0.061	2	115.5500	0.004	2	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.8210	0.000	1	115.8210	0.000	1	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.0580	0.000	1	116.0580	0.000	1	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>}	120.6570	0.000	1	119.0820	2.092	3	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>}	118.2945	0.681	2	119.0820	2.092	3	116.2120	4.306	11	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]P[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]OO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]OO){5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]N[6]OO)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6]){1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]N[6]OO){4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	115.0495	0.012	2	115.0495	0.000	2	115.0495	0.000	2	115.1577	3.054	140	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a,6a]	3:3:2:	4:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6]){1|C<4>,3|H<1>,6|C<3>}	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a]){1|O<2>,2|C<4>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	114.9393	2.509	211	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	3:6:	3:3:1:	C[6,6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:Ga[5,5,6]-6:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H)	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,5,6]N[5,6]4O[6])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H){2|C<3>,3|O<2>,4|N<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,5,6]N[5,6]4O[6]){11|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|Ga<6>,1|H<1>,2|C<3>}	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a]){2|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3670	0.629	2	115.3670	0.396	2	115.8467	0.599	7	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6130	0.143	3	116.0386	0.638	5	115.8467	0.599	7	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3110	0.000	1	116.0386	0.638	5	115.8467	0.599	7	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.0430	0.000	1	116.0386	0.638	5	115.8467	0.599	7	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H)	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H)	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.6810	0.000	1	117.6810	0.000	1	117.6810	0.000	1	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4380	0.000	1	116.3603	0.056	9	116.3165	0.123	11	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.3506	0.251	8	116.3603	0.056	9	116.3165	0.123	11	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7060	0.000	1	116.7060	0.000	1	116.3165	0.123	11	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.5330	0.000	1	115.5330	0.000	1	116.3165	0.123	11	116.2468	0.443	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C)	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	120.0840	0.000	1	120.0840	0.000	1	118.1467	2.769	4	118.1467	2.769	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<5>,1|H<1>,2|C<3>}	116.7655	0.241	2	117.5010	1.652	3	118.1467	2.769	4	118.1467	2.769	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	118.9720	0.000	1	117.5010	1.652	3	118.1467	2.769	4	118.1467	2.769	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	O[6](Ga[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](Ga[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Ga<5>,1|C<4>,2|C<3>}	118.8435	0.415	2	118.8435	0.172	2	118.5375	0.914	6	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	O[6](Ga[5,6,6]N[5,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	O[6](Ga[5,6,6]N[5,6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	117.4285	0.117	2	117.4285	0.014	2	118.5375	0.914	6	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	O[6](Ga[5,6,6]N[5,6]2O[6]P)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|P<2>,2|N<3>,3|H<1>}	O[6](Ga[5,6,6]N[5,6]2O[6]P)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Ga<5>,1|C<4>,2|C<3>}	119.3405	0.670	2	119.3405	0.448	2	118.5375	0.914	6	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](In[5,6,6]N[5,5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<3>,7|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,2|C<4>}	121.5555	0.166	2	121.5555	0.028	2	119.0994	4.149	10	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,6]2O[6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	O[6](In[5,6,6]N[5,6]2O[6]C)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|O<2>,2|C<3>}	119.2440	1.120	2	119.2440	1.255	2	119.0994	4.149	10	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<3>,7|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,2|C<4>}	120.7640	0.041	2	120.7640	0.002	2	119.0994	4.149	10	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	5:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|In<5>,1|C<4>,2|C<3>}	116.9668	0.270	4	116.9668	0.073	4	119.0994	4.149	10	118.8887	2.873	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[3x5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H)	O[6](Ga[3x5,6,6]N[3x5]N[5,6]3O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|N<4>,4|H<1>}	O[6](Ga[3x5,6,6]N[3x5]N[5,6]3O[6])(C[6,6a]C[6,6a]C[6a]){3|H<1>,5|C<3>,7|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|C<4>,1|H<1>}	118.4042	0.393	4	118.4042	0.155	4	118.4042	0.155	4	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[4x5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H)	O[6](Ga[4x5,6,6]N[5,5,6]2N[5,5]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,4|N<4>}	O[6](Ga[4x5,6,6]N[5,5,6]2N[5,5]2O[6])(C[6,6a]C[6,6a]C[6a]){10|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|C<4>,1|H<1>}	117.6910	0.298	2	117.6910	0.089	2	117.6910	0.089	2	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[3x5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[3x5,6,6])(C[6a]C[6a]H)	O[6](In[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<3>,2|N<4>,3|H<1>}	O[6](In[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6,6a]C[6,6a]C[6a]){3|H<1>,5|C<3>,6|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|In<6>,2|C<3>}	118.0250	1.708	2	118.0250	2.919	2	118.0250	2.919	2	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,2|C<3>}	118.8630	0.000	1	118.8630	0.000	1	117.3174	0.703	12	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<6>,1|H<1>,2|C<3>}	116.9750	0.000	1	116.9750	0.000	1	117.3174	0.703	12	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<6>,1|H<1>,2|C<3>}	116.3345	0.042	2	116.3345	0.002	2	117.3174	0.703	12	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>,2|N<3>,2|O<2>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<6>,1|H<1>,2|C<3>}	116.8417	0.395	4	116.8417	0.156	4	117.3174	0.703	12	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>,4|N<3>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<6>,1|H<1>,2|C<3>}	117.9838	0.217	4	117.9838	0.047	4	117.3174	0.703	12	117.6429	0.794	20	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S)	O[6](Ga[5,5,6,6]N[5,6]4O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SNOO)	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S){1|C<3>,1|O<2>,2|H<1>,2|O<1>,4|N<3>}	O[6](Ga[5,5,6,6]N[5,6]4O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|S<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SNOO){1|Ga<6>,1|C<3>,1|C<4>,1|S<4>}	119.8180	0.399	2	119.8180	0.159	2	119.8180	0.159	2	118.8122	1.487	10	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	O[6](In[5,5,6,6]N[5,6]2O[6]S[5]2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|N<3>,2|S<2>,3|H<1>}	O[6](In[5,5,6,6]N[5,6]2O[6]S[5]2)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHN){1|In<6>,1|C<4>,2|C<3>}	117.4605	0.713	2	117.4605	0.509	2	118.8322	1.331	6	118.8122	1.487	10	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a]){4|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<4>,2|C<3>}	119.3385	0.535	2	119.3385	0.287	2	118.8322	1.331	6	118.8122	1.487	10	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]P[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	O[6](In[5,5,6,6]N[5,6]2O[5]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]P[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>,3|O<2>}	O[6](In[5,5,6,6]N[5,6]2O[5]2O[6])(C[6,6a]C[6,6a]C[6a]){2|P<4>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|C<4>,1|P<4>}	119.6975	0.293	2	119.6975	0.086	2	118.8322	1.331	6	118.8122	1.487	10	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	6:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]Si)	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiC[6a]3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]Si){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,3|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiC[6a]3){1|In<6>,1|C<4>,2|C<3>}	117.7465	1.508	2	117.7465	2.275	2	117.7465	2.275	2	118.8122	1.487	10	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	7:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,4,4,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,4,4,6])(C[6a]C[6a]H)	O[6](Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]OO)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,4,4,6])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|N<3>,3|H<1>,4|O<2>}	O[6](Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]OO)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,4|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Nb<7>,1|H<1>,2|C<3>}	119.1670	0.014	2	119.1670	0.000	2	119.1670	0.000	2	119.7088	0.775	6	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	7:3:	3:3:1:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,5,6,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]H)	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|N<4>,3|C<3>,4|H<1>}	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<3>,8|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>}	119.9797	0.999	4	119.9797	0.997	4	119.9797	0.997	4	119.7088	0.775	6	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	7:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,5,6,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]C)	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|O<2>,2|N<4>,3|C<3>,4|H<1>}	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<3>,9|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Nb<7>,1|C<3>,2|C<4>}	118.2635	1.054	2	118.2635	1.112	2	118.2635	1.112	2	118.4590	0.670	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:2:3:	7:3:	3:3:4:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,5,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6])(C[6a]C[6a]C)	O[6](Nb[3,5,6]N[5,6]C[3]2N[5]Cl2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6])(C[6a]C[6a]C){2|Cl<1>,2|N<4>,3|C<3>,4|H<1>}	O[6](Nb[3,5,6]N[5,6]C[3]2N[5]Cl2)(C[6,6a]C[6,6a]C[6a]){2|C<3>,9|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Nb<7>,1|C<3>,2|C<4>}	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	118.4590	0.670	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:2:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	120.0620	0.190	2	120.0620	0.036	2	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3370	0.000	1	119.9230	0.354	28	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.0187	0.318	27	119.9230	0.354	28	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.2190	0.000	1	118.2190	0.000	1	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1947	0.444	3	116.7466	1.910	10	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1753	0.617	3	116.7466	1.910	10	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.7330	0.000	1	116.7466	1.910	10	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0260	0.000	1	116.7466	1.910	10	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.7985	2.149	2	116.7466	1.910	10	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.5008	0.236	6	119.5008	0.056	6	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.5512	0.844	4	119.0503	0.542	9	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.5760	0.169	4	119.0503	0.542	9	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.9440	0.000	1	119.0503	0.542	9	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	119.4223	0.148	12	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	119.7397	0.374	12	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<2>,1|P<4>,2|C<3>}	119.2170	0.368	6	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	119.1836	0.434	72	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	116.7725	0.852	2	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<2>,1|P<4>,2|C<3>}	119.3523	0.226	6	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	119.3236	1.093	29	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<2>,1|P<3>,2|C<3>}	119.0620	0.341	2	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	118.2665	0.547	2	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	116.7420	0.672	6	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	119.5071	0.444	24	119.1895	0.664	173	119.1786	0.981	229	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4460	0.000	1	117.4750	0.002	2	116.5323	1.007	6	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5040	0.000	1	117.4750	0.002	2	116.5323	1.007	6	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3330	0.000	1	117.3330	0.000	1	116.5323	1.007	6	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	115.6370	0.322	3	115.6370	0.104	3	116.5323	1.007	6	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	119.6950	0.262	2	119.6950	0.068	2	119.4783	2.453	43	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.1124	0.483	20	120.1124	0.233	20	119.4783	2.453	43	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H){4|C<3>}	119.8556	1.947	8	119.8556	3.792	8	119.4783	2.453	43	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1480	0.064	2	118.1781	3.831	12	119.4783	2.453	43	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3841	2.097	10	118.1781	3.831	12	119.4783	2.453	43	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9460	0.000	1	118.9460	0.000	1	119.4783	2.453	43	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a,6a]C[3x6a]C[6a])(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6]){6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a,6a]C[3x6a]C[6a])(H){6|C<3>}	117.6660	0.000	1	117.6660	0.000	1	117.3080	0.256	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6]){6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(H){6|C<3>}	116.9500	0.000	1	116.9500	0.000	1	117.3080	0.256	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H){1|O<2>,3|C<3>}	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){2|C<3>,2|H<1>,3|C<4>}	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F){1|F<1>,1|O<2>,2|C<3>}	116.8927	0.304	3	116.9368	0.069	4	117.1876	0.367	5	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F){1|F<1>,1|O<2>,2|C<3>}	117.0690	0.000	1	116.9368	0.069	4	117.1876	0.367	5	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){1|F<1>,1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(F){1|H<1>,1|O<2>,2|C<3>}	118.1910	0.000	1	118.1910	0.000	1	117.1876	0.367	5	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	113.5385	0.936	2	114.0473	1.214	3	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.0650	0.000	1	114.0473	1.214	3	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	112.2270	0.000	1	112.2270	0.000	1	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|S<1>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	115.4910	0.000	1	115.4910	0.000	1	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	115.2610	0.000	1	115.2610	0.000	1	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	118.5120	0.000	1	118.5120	0.000	1	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|Cl<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|N<2>,1|O<2>}	118.3970	0.000	1	118.3970	0.000	1	115.2537	5.216	8	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	116.8960	0.311	4	116.8960	0.097	4	116.8960	0.097	4	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5810	0.000	1	115.5810	0.000	1	114.9630	0.300	3	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.7710	0.000	1	114.6540	0.027	2	114.9630	0.300	3	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.5370	0.000	1	114.6540	0.027	2	114.9630	0.300	3	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,2|C<3>}	115.6030	0.000	1	115.6030	0.000	1	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	113.6840	0.000	1	113.6840	0.000	1	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.7430	0.313	6	113.7430	0.098	6	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	114.6380	0.000	1	114.6380	0.000	1	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.1000	0.039	3	115.5421	0.569	9	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.6167	0.592	3	115.5421	0.569	9	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	114.9110	0.000	1	115.5421	0.569	9	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5890	0.000	1	115.5421	0.569	9	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.2290	0.000	1	115.5421	0.569	9	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	116.1480	0.000	1	116.1480	0.000	1	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	112.0450	0.000	1	112.0450	0.000	1	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.6190	0.000	1	117.6190	0.000	1	114.8607	1.795	21	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,6|C<3>}	115.2620	0.000	1	115.2620	0.000	1	115.2620	0.000	1	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,3|C<3>,3|C<4>}	117.2920	0.339	2	117.2920	0.115	2	117.2920	0.115	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]O[6])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])2(H){2|C<4>,3|C<3>}	116.4120	0.674	3	116.4120	0.455	3	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,2|O<2>,4|C<3>}	115.8880	0.233	3	115.8880	0.054	3	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])2(H){2|C<4>,3|C<3>}	115.9410	0.423	2	115.4678	0.165	9	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])2(H){2|C<4>,3|C<3>}	115.3326	0.306	7	115.4678	0.165	9	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,5|C<3>}	115.4580	0.000	1	115.4580	0.000	1	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,4|C<3>}	116.3440	0.000	1	116.3440	0.000	1	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|N<2>,1|O<2>,4|C<3>}	117.8150	0.000	1	117.8150	0.000	1	115.8737	0.521	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<4>,1|S<4>,2|C<3>}	116.4290	0.000	2	116.4290	0.000	2	116.4290	0.000	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2730	0.554	2	116.3377	1.292	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4025	0.265	2	116.3377	1.292	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1791	0.721	18	116.1791	0.520	18	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.6190	0.000	1	115.6190	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	115.2807	0.244	4	115.1954	0.081	5	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	114.8540	0.000	1	115.1954	0.081	5	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.2910	0.000	1	115.4448	0.425	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.6765	0.672	4	115.4448	0.425	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	115.6700	0.000	1	115.4448	0.425	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3362	0.394	12	115.4448	0.425	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	115.9060	0.210	5	115.4448	0.425	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	115.7580	0.000	1	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	114.4290	0.762	2	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	114.7490	0.000	1	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	113.6540	0.000	1	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	115.0245	0.999	2	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	114.9535	0.334	2	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	114.5021	0.386	29	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	114.6949	0.268	8	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	113.7210	0.158	2	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	114.4640	0.533	83	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	114.5677	0.478	40	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	115.0520	0.143	2	114.5194	0.257	173	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[5a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	115.3890	0.000	1	115.3890	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.3217	0.612	11	115.1403	0.397	21	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	115.2790	0.000	1	115.1403	0.397	21	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.3620	0.724	2	115.1403	0.397	21	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.4946	0.467	5	115.1403	0.397	21	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	115.4660	0.161	2	115.1403	0.397	21	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	113.8040	0.000	1	113.8040	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.3940	0.000	1	115.3940	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.1640	1.685	3	115.1640	2.841	3	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9342	0.478	8	114.7841	0.336	14	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.2285	0.428	2	114.7841	0.336	14	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.2125	0.540	2	114.7841	0.336	14	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3105	0.535	2	114.7841	0.336	14	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	114.5025	0.971	4	114.5025	0.943	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	114.1340	0.000	1	114.1340	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.6690	0.000	1	113.6690	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	112.2717	0.227	3	112.2717	0.051	3	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	112.9903	0.792	6	112.9903	0.628	6	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){4|C<3>}	113.9630	0.000	1	113.9630	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.1470	0.052	2	113.3707	0.151	3	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.8180	0.000	1	113.3707	0.151	3	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.1280	0.000	1	113.2840	2.034	10	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	111.3383	0.420	3	113.2840	2.034	10	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.2828	0.341	6	113.2840	2.034	10	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)(H){1|N<2>,3|C<3>}	116.4180	0.000	1	116.4180	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.7750	0.000	1	115.3923	0.245	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.8480	0.000	1	115.3923	0.245	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4730	0.529	2	115.3923	0.245	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.4125	0.370	2	114.4125	0.137	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<4>,2|C<3>}	114.4600	0.000	1	114.4600	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	115.6062	1.341	6	115.6062	1.797	6	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	114.4750	0.375	2	114.6168	0.386	11	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	114.0335	0.708	2	114.6168	0.386	11	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|O<2>,3|C<3>}	115.6510	0.491	2	114.6168	0.386	11	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	114.4707	0.104	4	114.6168	0.386	11	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	114.5830	0.000	1	114.6168	0.386	11	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1180	0.218	2	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.6917	2.006	4	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9665	0.370	6	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.6630	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<4>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4465	0.217	2	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2695	0.037	2	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2481	0.294	41	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8325	0.671	2	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.6603	0.100	3	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<3>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2630	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.2705	0.693	20	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.4910	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5520	0.008	2	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.6210	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	115.1580	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	115.3650	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.6571	0.470	15	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	115.6080	0.000	1	115.6754	0.583	106	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	114.1665	0.090	2	115.3923	0.357	19	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,3|C<3>}	115.7212	0.347	4	115.3923	0.357	19	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	115.4797	0.458	13	115.3923	0.357	19	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	116.0440	0.066	2	115.3211	0.431	10	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	115.1045	0.787	2	115.3211	0.431	10	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	115.1523	0.624	6	115.3211	0.431	10	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	116.2720	0.666	3	116.2720	0.444	3	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<4>,2|C<3>}	114.5820	0.161	2	114.5820	0.026	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.7840	0.000	1	115.7840	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	115.7340	0.508	4	115.7340	0.258	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	117.4440	0.000	1	117.4440	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	117.0135	0.664	2	117.0135	0.441	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.6787	1.187	4	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.2760	0.000	1	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.3405	0.057	2	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.1382	0.437	6	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<5>,1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.4660	0.000	1	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.2755	0.569	2	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.2250	0.916	126	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.0000	0.000	1	117.2928	0.869	143	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	117.0620	0.617	2	117.0620	0.380	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.7735	0.272	2	117.7735	0.074	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.5035	0.274	2	117.5035	0.075	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.4880	0.074	2	117.4880	0.005	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	115.4483	1.232	3	114.3941	0.760	13	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	113.9550	0.000	1	114.3941	0.760	13	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	113.2350	0.000	1	114.3941	0.760	13	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>}	114.3500	0.266	4	114.3941	0.760	13	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	114.0470	0.415	4	114.3941	0.760	13	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]B[5])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]B[5])(H){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	116.7800	0.000	1	116.7800	0.000	1	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|C<4>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,2|C<3>}	113.0970	0.000	2	113.0970	0.000	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>}	117.2105	0.319	4	116.1565	1.080	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>}	115.1527	0.260	4	116.1565	1.080	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	114.9970	0.240	2	116.1565	1.080	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<3>,1|S<2>,2|C<3>}	116.0743	0.748	3	116.1565	1.080	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	116.4800	0.928	6	116.1565	1.080	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>}	116.2622	1.404	4	116.1565	1.080	23	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,2|C<3>}	112.3007	0.508	4	112.3007	0.258	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.8260	0.000	1	117.2434	0.415	9	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.2956	0.668	8	117.2434	0.415	9	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.1760	0.430	2	119.1760	0.185	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<5>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,2|C<3>}	114.5740	0.106	2	114.5740	0.011	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	114.3545	0.047	2	114.3545	0.002	2	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	112.7088	0.349	4	112.7088	0.121	4	115.5508	2.033	680	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	115.4077	0.428	4	115.4077	0.184	4	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	115.5525	0.190	2	115.9304	0.453	5	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,5|C<3>}	116.5440	0.718	2	115.9304	0.453	5	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){6|C<3>}	115.4590	0.000	1	115.9304	0.453	5	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|N<3>,4|C<3>}	119.8030	0.460	2	118.4034	0.882	8	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|N<3>,4|C<3>}	117.9368	0.385	6	118.4034	0.882	8	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H){1|N<2>,1|O<2>,3|C<3>}	118.6880	0.000	1	118.6880	0.000	1	117.0666	2.525	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	114.4090	0.344	6	114.4236	0.199	9	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	114.4527	0.706	3	114.4236	0.199	9	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	113.6245	0.062	2	114.1100	0.709	3	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	115.0810	0.000	1	114.1100	0.709	3	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	115.1340	0.266	3	114.9118	0.132	6	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	114.8670	0.184	2	114.9118	0.132	6	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	114.3350	0.000	1	114.9118	0.132	6	114.5341	0.304	18	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(Br)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(Br){4|C<3>}	116.1110	0.000	1	116.1110	0.000	1	116.3985	0.165	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	116.6860	0.000	1	116.6860	0.000	1	116.3985	0.165	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	116.0090	0.000	1	116.0090	0.000	1	116.0090	0.000	1	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.5180	0.000	1	114.5180	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3690	0.000	1	115.3690	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3700	0.000	2	116.3700	0.000	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.2410	0.222	6	114.6798	0.278	16	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9357	0.615	4	114.6798	0.278	16	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.2900	0.049	2	114.6798	0.278	16	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.8345	0.689	2	114.6798	0.278	16	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.7195	0.315	2	114.6798	0.278	16	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	113.7975	0.121	2	113.7975	0.015	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.7620	0.000	1	114.8585	0.019	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	114.9550	0.000	1	114.8585	0.019	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4410	0.000	1	116.4410	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	116.2990	0.000	1	116.2990	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9120	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.6015	0.162	2	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	115.1720	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.7380	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0490	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2780	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.3527	0.769	3	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3795	0.482	2	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3730	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.1810	0.000	1	115.1945	0.257	14	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.2610	0.000	1	116.2610	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	115.6630	0.000	1	115.6630	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5610	0.000	1	116.5610	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8170	0.000	1	115.8520	1.862	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	114.8870	0.000	1	115.8520	1.862	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[5a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.0040	0.000	1	116.0040	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.1200	0.000	1	115.1200	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.7010	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9240	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8310	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.9880	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0695	0.029	2	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	115.9770	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.9740	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.6520	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4345	1.077	4	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9730	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0483	0.458	9	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3750	0.000	1	115.8628	0.451	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9660	0.000	1	114.9660	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5020	0.000	1	115.4498	0.018	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.4030	0.164	3	115.4498	0.018	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.5380	0.000	1	115.4498	0.018	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	114.1980	0.000	1	114.1980	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.0110	0.262	2	115.0110	0.068	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.4885	0.080	2	116.4885	0.006	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.0030	0.000	1	116.0030	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.9670	0.000	1	113.9670	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.8815	1.163	4	113.8815	1.352	4	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){4|C<3>}	115.4510	0.000	1	113.8012	0.375	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.3524	0.297	7	113.8012	0.375	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.0143	0.212	7	113.8012	0.375	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.5250	0.000	1	114.5250	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H){1|C<4>,3|C<3>}	113.7720	0.000	1	113.7720	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	111.9690	0.304	2	112.4407	0.714	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.3840	0.000	1	112.4407	0.714	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.0300	0.000	1	115.0300	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.6720	0.296	2	114.6720	0.087	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1033	0.387	4	116.9367	0.297	7	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.2310	0.000	1	116.9367	0.297	7	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.8760	0.000	1	116.9367	0.297	7	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0370	0.000	1	116.9367	0.297	7	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5540	0.000	1	115.5540	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.7705	0.098	2	116.2981	0.504	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.7840	0.000	1	116.2981	0.504	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2760	0.000	1	116.2981	0.504	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6960	0.590	4	116.2981	0.504	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.4340	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.4680	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.7550	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.9475	0.506	2	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.3530	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4390	0.069	2	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1305	0.049	2	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.9000	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.8020	0.107	2	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	116.0850	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.4470	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	115.6210	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.9360	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	116.4630	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.6760	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	116.9790	0.433	2	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.2720	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	116.2590	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.1110	0.000	1	115.8490	0.391	24	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.9430	0.000	1	115.1595	0.094	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	115.3760	0.000	1	115.1595	0.094	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){3|C<3>}	113.5790	0.000	1	113.5790	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4080	0.194	2	115.7504	0.446	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	116.4790	0.000	1	115.7504	0.446	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.0280	0.000	1	115.7504	0.446	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.4290	0.000	1	115.7504	0.446	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	113.6410	0.000	1	113.6410	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.4025	1.063	2	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2360	0.288	5	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	114.1280	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.1420	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.8915	0.429	2	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	115.6730	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.1240	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1490	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1020	0.065	2	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.9970	0.660	8	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	116.5250	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.8870	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.3190	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.3380	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9780	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.1480	0.809	2	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2430	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5410	0.000	1	115.9179	0.955	33	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	116.8510	0.000	1	114.7906	1.334	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.2755	0.099	4	114.7906	1.334	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H){2|C<3>,2|C<4>}	113.9060	0.000	1	113.9060	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<4>,2|C<3>}	114.9150	0.000	1	114.9150	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	115.1990	0.000	1	115.1990	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	116.5260	0.000	1	115.4177	0.586	4	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	114.8310	0.000	1	115.4177	0.586	4	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	115.3120	0.000	1	115.4177	0.586	4	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	115.0020	0.000	1	115.4177	0.586	4	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.7475	0.848	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6350	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.2460	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4745	0.576	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.8240	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.6930	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.5490	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.2370	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|I<1>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	115.1510	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9440	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	116.1380	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	115.3310	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.6797	0.466	4	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4940	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.4665	0.415	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9470	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.2475	0.780	8	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0128	0.537	12	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5320	0.257	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.9100	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.2070	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1190	0.042	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.9830	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.0480	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6965	0.180	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.5680	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9760	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9280	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.3990	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	118.2340	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1290	0.413	3	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.5775	0.524	2	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.2990	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	116.9020	0.000	1	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.4884	0.574	15	116.1954	0.538	79	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	116.0990	0.000	1	116.0990	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.3370	0.000	1	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.2010	0.000	1	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.3125	0.149	2	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	115.1030	0.000	1	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.7630	0.074	2	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.0180	0.000	1	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.4750	0.000	1	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	116.4860	0.000	1	114.7771	0.462	10	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Ru<8>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7850	0.000	1	117.7850	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	115.6240	0.000	1	115.6240	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8005	0.043	2	116.6883	0.039	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.4640	0.000	1	116.6883	0.039	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	116.5480	0.000	1	116.5480	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	116.2510	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7860	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.4911	0.748	8	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7240	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	115.5720	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	115.2590	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	114.8980	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.3010	0.000	1	116.1813	0.642	15	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	115.7755	0.199	2	114.8920	0.751	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	113.9250	0.000	1	114.8920	0.751	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.7630	0.000	1	114.8920	0.751	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|S<4>,3|C<3>}	114.2210	0.000	1	114.8920	0.751	5	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3820	0.000	1	116.3820	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0378	0.413	4	117.5122	0.562	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.9868	0.637	4	117.5122	0.562	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.9430	0.000	1	116.9430	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1890	0.000	1	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.2700	1.450	2	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.9142	0.656	11	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5970	0.122	2	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.1110	0.000	1	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5750	0.000	1	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1120	0.000	1	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4097	0.323	3	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9527	0.715	4	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.8580	0.000	1	117.2102	0.802	27	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.2870	0.000	1	116.6313	0.296	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.8035	0.644	2	116.6313	0.296	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.0420	0.000	1	118.0420	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.3590	0.000	1	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.6970	0.000	1	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.4960	0.000	1	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.8980	0.000	1	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.7290	0.085	2	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	117.9990	0.000	1	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.7410	0.000	1	117.3310	0.489	8	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	115.6660	0.000	1	115.6660	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.0700	0.000	1	117.6423	0.251	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.8570	0.000	1	117.6423	0.251	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.0000	0.000	1	117.6423	0.251	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	118.2800	0.000	1	118.2800	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	116.7030	0.535	3	116.7030	0.286	3	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	117.2300	0.000	1	117.8545	0.780	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	118.4790	0.000	1	117.8545	0.780	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<2>,1|S<4>,2|C<3>}	116.9000	0.000	1	116.9000	0.000	1	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.5265	0.101	2	117.5265	0.010	2	115.8751	1.427	383	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|O<2>,4|C<3>}	118.5750	0.219	2	118.5750	0.048	2	118.5750	0.048	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ge[4,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2){1|Ge<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Ge<3>,1|C<3>,1|C<4>}	119.2580	0.000	1	119.6780	0.353	2	119.6780	0.353	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ge[4,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2){1|Ge<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,2|C<4>}	120.0980	0.000	1	119.6780	0.353	2	119.6780	0.353	2	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>}	116.6620	0.642	2	116.7620	0.250	6	116.7620	0.250	6	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>}	116.8120	0.518	4	116.7620	0.250	6	116.7620	0.250	6	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	118.3580	0.000	1	118.3580	0.000	1	116.7387	4.274	3	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|P<3>,3|C<3>}	114.4100	0.000	1	114.4100	0.000	1	116.7387	4.274	3	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	117.4480	0.000	1	117.4480	0.000	1	116.7387	4.274	3	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]P[6]){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|P<3>,4|C<3>}	118.4420	0.000	1	118.4420	0.000	1	118.4420	0.000	1	116.3564	3.671	1463	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<4>,2|C<3>}	119.1702	0.556	6	119.0329	0.208	14	119.0329	0.208	14	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<4>,2|C<3>}	118.9308	0.404	6	119.0329	0.208	14	119.0329	0.208	14	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<3>,2|C<3>}	118.9275	0.390	2	119.0329	0.208	14	119.0329	0.208	14	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a]){6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	118.7195	0.275	2	118.7195	0.076	2	118.7195	0.076	2	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<4>,2|C<3>}	114.4120	0.000	1	114.8325	0.354	2	114.8325	0.354	2	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	115.2530	0.000	1	114.8325	0.354	2	114.8325	0.354	2	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	117.1230	0.000	1	117.1230	0.000	1	117.4255	0.183	2	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|S<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN){1|N<3>,1|O<2>,3|C<3>}	117.7280	0.000	1	117.7280	0.000	1	117.4255	0.183	2	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|C<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,2|C<3>}	114.1960	0.315	2	114.1960	0.099	2	115.9678	2.659	5	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|F<1>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(CN){1|N<3>,1|O<2>,2|C<3>}	116.9380	0.000	1	116.9380	0.000	1	115.9678	2.659	5	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,2|C<3>}	117.2545	0.060	2	117.2545	0.004	2	115.9678	2.659	5	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,2|C<3>}	114.6785	0.248	2	115.0405	0.195	4	115.0405	0.195	4	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){2|C<3>,2|C<4>}	115.4025	0.005	2	115.0405	0.195	4	115.0405	0.195	4	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SC[6a]){1|C<4>,1|S<2>,2|C<3>}	119.1402	0.316	4	117.8450	2.092	12	117.8450	2.092	12	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|S<2>,2|C<3>}	117.1974	1.344	8	117.8450	2.092	12	117.8450	2.092	12	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CC){1|H<1>,1|O<2>,4|C<3>}	117.6400	0.156	2	117.6400	0.024	2	117.6400	0.024	2	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	115.4680	0.520	2	115.4680	0.271	2	115.6837	0.275	3	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.1150	0.000	1	116.1150	0.000	1	115.6837	0.275	3	117.4976	3.012	46	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])2(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])2(CCO){2|C<3>,3|C<4>}	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO){2|C<3>,2|C<4>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	115.9992	0.692	4	115.8024	0.553	5	115.8024	0.553	5	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	115.0150	0.000	1	115.8024	0.553	5	115.8024	0.553	5	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCC){2|C<3>,2|C<4>}	115.9180	0.460	7	115.9180	0.211	7	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5]2){1|C<4>,1|H<1>,2|C<3>}	115.0530	0.000	1	115.0530	0.000	1	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2){1|C<4>,1|H<1>,2|C<3>}	115.3646	1.448	12	115.3474	1.926	13	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2){2|C<3>,2|C<4>}	115.1410	0.000	1	115.3474	1.926	13	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]C[5]){1|C<4>,1|H<1>,2|C<3>}	115.0480	0.000	1	115.0480	0.000	1	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN){2|C<3>,2|C<4>}	116.1600	0.731	2	116.1600	0.535	2	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CNN){1|C<4>,1|H<1>,2|C<3>}	114.8400	0.173	2	114.8400	0.030	2	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(COO){2|C<3>,2|C<4>}	116.4220	0.000	1	116.4220	0.000	1	115.5357	1.132	27	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,2|H<1>,4|C<3>}	114.5367	0.772	3	114.5367	0.595	3	114.5367	0.595	3	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	116.2097	0.664	3	116.0473	1.736	27	116.0481	1.671	28	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	116.4403	1.538	15	116.0473	1.736	27	116.0481	1.671	28	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	115.3382	0.725	9	116.0473	1.736	27	116.0481	1.671	28	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	116.0700	0.000	1	116.0700	0.000	1	116.0481	1.671	28	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	115.5025	0.186	2	114.6798	0.585	6	115.7856	1.736	14	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	114.2685	0.536	4	114.6798	0.585	6	115.7856	1.736	14	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCoC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCoC){2|C<3>,2|C<4>}	116.4367	1.089	6	116.4367	1.186	6	115.7856	1.736	14	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NNiC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NNiC){2|C<3>,2|C<4>}	117.1495	0.329	2	117.1495	0.108	2	115.7856	1.736	14	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	117.0250	0.088	2	117.0250	0.008	2	117.0250	0.008	2	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	116.0250	0.000	1	116.0250	0.000	1	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	115.7483	0.754	3	115.8678	0.436	4	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	116.2260	0.000	1	115.8678	0.436	4	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PNN){1|C<4>,1|H<1>,2|C<3>}	115.4620	0.331	2	115.4620	0.110	2	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(POO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(POO){1|C<4>,1|H<1>,2|C<3>}	115.1340	0.430	2	115.1340	0.185	2	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<3>,2|C<3>}	115.9230	0.188	2	115.9230	0.035	2	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|S<2>,2|C<3>}	117.5560	0.204	2	117.5560	0.041	2	115.9728	0.723	13	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|P<3>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]2){2|C<4>,2|H<1>,5|C<3>}	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si[4]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Si[4]N[4]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<3>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Si[4]N[4]2){1|H<1>,3|C<3>,3|C<4>}	114.1665	0.136	2	114.1665	0.019	2	114.1665	0.019	2	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	115.8730	0.000	1	115.8730	0.000	1	116.2623	0.165	3	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	116.6830	0.000	1	116.6830	0.000	1	116.2623	0.165	3	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|N<2>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	116.2310	0.000	1	116.2310	0.000	1	116.2623	0.165	3	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.7498	1.280	103	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(CCHH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3){1|O<2>,2|C<3>,3|C<4>}	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	115.7184	0.870	7	115.7184	0.757	7	115.9136	0.759	10	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	117.2500	0.000	1	117.2500	0.000	1	115.9136	0.759	10	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	115.5840	0.000	1	115.9285	0.237	2	115.9136	0.759	10	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	116.2730	0.000	1	115.9285	0.237	2	115.9136	0.759	10	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<4>,2|C<3>}	114.7198	0.736	4	114.7198	0.541	4	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<4>,2|C<3>}	114.3160	0.000	1	114.3160	0.000	1	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHHO)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHHO){1|C<4>,3|C<3>}	111.9720	0.000	1	111.9720	0.000	1	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CAlNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CAlNN){1|C<4>,1|H<1>,2|C<3>}	116.1685	0.221	2	116.1685	0.049	2	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){2|C<3>,2|C<4>}	117.8085	0.315	2	118.1995	0.263	4	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,3|C<3>}	118.5905	0.279	2	118.1995	0.263	4	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>}	113.9775	0.835	2	113.9775	0.697	2	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){2|C<3>,2|C<4>}	115.5560	0.849	2	115.5560	0.720	2	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5]2H){2|C<3>,2|C<4>}	115.4170	0.000	1	115.4170	0.000	1	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5a]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	114.1145	0.234	2	114.1145	0.055	2	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CTiNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CTiNN){1|C<4>,1|H<1>,2|C<3>}	115.9585	0.118	2	115.9585	0.014	2	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Am<9>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	121.8920	0.372	5	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Co<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.1340	0.239	2	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cr<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.9595	0.758	4	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<5>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	119.0550	0.000	1	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.3780	0.081	2	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	122.5940	0.484	2	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mo<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.5182	0.217	4	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.3525	0.199	2	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<2>,2|C<3>}	118.1680	0.000	1	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	118.9430	0.000	1	122.5189	2.799	24	119.2308	15.445	45	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCCH){1|C<4>,1|H<1>,2|C<3>}	116.7545	0.408	2	116.7545	0.166	2	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2B)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2B){1|C<4>,1|H<1>,2|C<3>}	116.8028	1.019	6	116.8028	1.039	6	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	117.4690	0.000	1	117.4690	0.000	1	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Co)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Co){1|C<4>,1|H<1>,2|C<3>}	114.4742	0.701	10	114.4742	0.491	10	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Cu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Cu){1|C<4>,1|H<1>,2|C<3>}	115.8693	0.897	46	115.8693	0.805	46	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Fe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Fe){1|C<4>,1|H<1>,2|C<3>}	114.0130	0.444	4	114.0130	0.197	4	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	115.8400	0.000	1	115.8400	0.000	1	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<4>,1|H<1>,2|C<3>}	114.4330	1.668	6	114.4330	2.782	6	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	117.8310	0.000	1	117.8310	0.000	1	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<4>,1|H<1>,2|C<3>}	116.1583	0.642	6	116.1583	0.412	6	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	115.1090	0.000	1	115.1090	0.000	1	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<4>,1|H<1>,2|C<3>}	116.1557	1.475	28	116.1557	2.175	28	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Re)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Re){1|C<4>,1|H<1>,2|C<3>}	115.1825	0.162	2	115.1825	0.026	2	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Rh)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	115.9202	0.581	4	115.9202	0.338	4	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ru)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ru){1|C<4>,1|H<1>,2|C<3>}	115.2478	0.864	12	115.2478	0.746	12	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Zn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Zn){1|C<4>,1|H<1>,2|C<3>}	114.4530	0.000	1	114.4530	0.000	1	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PPdCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PPdCC){1|C<4>,1|H<1>,2|C<3>}	117.5970	0.191	4	117.5970	0.037	4	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PPdOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PPdOO){1|C<4>,1|H<1>,2|C<3>}	115.6245	0.633	2	115.6245	0.401	2	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PPtOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PPtOO){1|C<4>,1|H<1>,2|C<3>}	116.3643	0.658	3	116.3643	0.434	3	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PRhCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PRhCC){1|C<4>,1|H<1>,2|C<3>}	114.8955	0.301	2	114.8955	0.090	2	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Ir){1|H<1>,1|N<3>,2|C<3>}	117.1207	1.167	6	117.1207	1.362	6	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Pt){1|Si<4>,1|H<1>,2|C<3>}	114.6920	0.265	4	114.6920	0.070	4	115.7944	1.573	152	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P[5]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|P<3>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]3){2|C<4>,2|H<1>,7|C<3>}	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiCCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiCCN){1|C<4>,1|H<1>,2|C<3>}	115.7395	0.595	2	115.7395	0.354	2	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiCCW)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiCCW){1|C<4>,1|H<1>,2|C<3>}	114.3810	0.000	1	114.3810	0.000	1	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiFeCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiFeCC){1|C<4>,1|H<1>,2|C<3>}	115.4750	0.754	2	115.4750	0.568	2	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiMoCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiMoCC){1|C<4>,1|H<1>,2|C<3>}	116.1860	0.159	3	116.1860	0.025	3	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiOsCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiOsCC){1|C<4>,1|H<1>,2|C<3>}	114.7180	0.496	2	114.7180	0.246	2	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiRuCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiRuCC){1|C<4>,1|H<1>,2|C<3>}	115.1908	0.569	12	115.1908	0.324	12	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiSiNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiSiNN){1|C<4>,1|H<1>,2|C<3>}	113.0215	0.231	2	113.0215	0.053	2	115.1307	0.826	24	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	114.6860	0.000	1	114.6860	0.000	1	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	115.4010	0.000	1	115.4010	0.000	1	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	114.9010	0.000	1	115.1120	0.089	2	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH){1|C<4>,3|C<3>}	115.3230	0.000	1	115.1120	0.089	2	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	115.1290	0.000	1	115.1290	0.000	1	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	115.4980	0.000	1	114.5799	0.713	9	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	115.0310	0.000	1	114.5799	0.713	9	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	116.0520	0.000	1	114.5799	0.713	9	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	114.5520	0.000	1	114.5799	0.713	9	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	113.8238	0.228	4	114.5799	0.713	9	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	114.7910	0.000	1	114.5799	0.713	9	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	115.9280	0.000	1	115.9280	0.000	1	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	115.7980	0.000	1	115.7980	0.000	1	114.8991	0.601	16	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[3x6]O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[3x6]O[6]){1|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|P<3>,2|C<3>}	120.2305	0.018	2	120.2305	0.000	2	120.2305	0.000	2	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<4>,1|P<3>,2|C<3>}	118.8580	0.000	1	118.8580	0.000	1	118.8580	0.000	1	116.3379	5.910	253	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(CN[5a]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(CN[5a]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>}	115.1350	0.000	1	115.1350	0.000	1	115.1350	0.000	1	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2Cu)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a]){1|Cu<4>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2Cu)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	116.5695	0.018	2	116.5695	0.000	2	116.5695	0.000	2	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	113.6055	0.319	2	114.9622	1.353	10	114.8353	1.260	18	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	116.0730	0.000	1	114.9622	1.353	10	114.8353	1.260	18	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	115.6554	0.704	5	114.9622	1.353	10	114.8353	1.260	18	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	114.0305	1.019	2	114.9622	1.353	10	114.8353	1.260	18	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ni)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ni<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ni)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	115.4750	0.587	2	115.4750	0.344	2	114.8353	1.260	18	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	114.4107	1.169	6	114.4107	1.366	6	114.8353	1.260	18	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(Si[6]Si[3,6]O[6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[6]Si[3,6]O[6]N)(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	115.0622	1.328	22	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](PB[3x3,3x5,12x6]C[6a]2)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6a](PB[3x3,3x5,12x6]C[6a]2)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	116.3100	0.667	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	Si[4]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,2|C<3>,2|C<4>}	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.3100	0.667	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	4:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	Si[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,3|C<3>,3|C<4>}	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	116.3100	0.667	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	5:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	Si[3,4]-5:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](Si[3,4]Si[3,6]N[4]2O[3])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6a](Si[3,4]Si[3,6]N[4]2O[3])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	115.7263	0.183	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	5:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	Si[4,4]-5:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](Si[4,4]Si[4,3x6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6a](Si[4,4]Si[4,3x6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>,4|C<4>}	115.3240	0.000	1	115.3240	0.000	1	115.5015	0.063	2	115.7263	0.183	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:3:	5:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	Si[4,4]-5:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6a](Si[4,4]Si[4,6,6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6a](Si[4,4]Si[4,6,6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>,4|C<4>}	115.6790	0.000	1	115.6790	0.000	1	115.5015	0.063	2	115.7263	0.183	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[5,6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]O[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	120.3380	0.000	1	120.3380	0.000	1	119.7535	0.683	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[5,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	119.1690	0.000	1	119.1690	0.000	1	119.7535	0.683	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	119.8045	0.405	2	119.8045	0.164	2	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	119.9680	0.000	1	119.9680	0.000	1	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9130	0.000	1	116.9130	0.000	1	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	118.0790	0.065	2	118.0790	0.004	2	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.7400	0.000	1	118.7400	0.000	1	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.7105	1.363	2	116.7105	1.857	2	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,3|C<4>}	115.5780	0.000	1	115.5780	0.000	1	118.0387	2.592	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.5155	0.211	2	116.5155	0.045	2	116.8660	0.967	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.3330	0.000	1	116.3330	0.000	1	116.8660	0.967	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.3580	0.000	1	116.3580	0.000	1	116.8660	0.967	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	118.6080	0.000	1	118.6080	0.000	1	116.8660	0.967	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	117.9738	0.218	32	117.9738	0.047	32	118.8625	0.675	86	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|H<1>,3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	119.7219	0.313	32	119.7219	0.098	32	118.8625	0.675	86	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){3|C<3>,4|O<2>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]O)(H){1|B<4>,3|C<3>}	118.7142	0.458	12	118.7142	0.210	12	118.8625	0.675	86	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]S)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|S<2>,3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]S)(H){1|B<4>,3|C<3>}	119.1343	0.261	10	119.1343	0.068	10	118.8625	0.675	86	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.8670	0.000	1	119.8670	0.000	1	119.9657	0.087	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.6030	0.000	1	119.6030	0.000	1	119.9657	0.087	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6]){1|B<4>,1|H<1>,1|N<4>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N){1|H<1>,1|N<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.1965	0.110	2	120.1965	0.012	2	119.9657	0.087	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.5580	0.281	2	120.5580	0.079	2	120.6287	0.042	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.6995	0.168	2	120.6995	0.028	2	120.6287	0.042	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.7830	0.000	1	118.7830	0.000	1	119.6900	0.791	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6])	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.1435	0.590	2	120.1435	0.349	2	119.6900	0.791	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	119.4320	0.225	3	119.4320	0.051	3	119.2662	0.144	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.7690	0.000	1	118.7690	0.000	1	119.2662	0.144	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoF)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6]){1|Mo<6>,1|F<1>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoF){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	118.1620	0.368	2	118.1620	0.135	2	118.4305	0.132	6	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoO)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6]){1|Mo<6>,1|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	118.5648	0.320	4	118.5648	0.103	4	118.4305	0.132	6	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]O[6]OO)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]S[6]){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]O[6]OO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[3x6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6]){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[5,6a]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[5,6a]2N[6]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.9510	0.000	1	119.9510	0.000	1	118.3540	5.101	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[6]O[5]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[6]O[5]2){1|H<1>,1|N<4>,2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<4>}	116.7570	0.000	1	116.7570	0.000	1	118.3540	5.101	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[5a,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	118.0710	0.016	2	118.0710	0.000	2	118.7638	0.683	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2){1|B<3>,1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.4565	0.361	2	119.4565	0.131	2	118.7638	0.683	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H){1|B<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	119.8120	0.000	1	119.8120	0.000	1	118.9190	0.662	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6,6a]C[6,6a]O[6])(H){1|B<4>,1|N<3>,1|O<2>,3|C<3>}	118.3210	0.617	2	118.3210	0.380	2	118.9190	0.662	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>}	119.2220	0.000	1	119.2220	0.000	1	118.9190	0.662	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|B<4>,2|C<3>}	120.2803	0.583	3	120.2803	0.340	3	120.2803	0.340	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.7070	0.000	1	119.4399	0.421	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,2|C<3>}	119.4890	0.000	1	119.4399	0.421	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.5387	0.868	3	119.4399	0.421	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,2|C<3>}	119.9790	0.000	1	119.4399	0.421	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,2|C<3>}	119.8020	0.000	1	119.4399	0.421	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.6830	0.434	2	119.4399	0.421	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|B<4>,1|H<1>,2|C<3>}	118.8370	0.000	1	118.8370	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|C<4>,1|N<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.7880	0.000	1	118.9230	0.014	4	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.9575	0.128	2	118.9230	0.014	4	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,3|C<3>}	118.9890	0.000	1	118.9230	0.014	4	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,2|F<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	117.9170	0.000	1	117.9170	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.3242	0.615	5	118.3242	0.378	5	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.2720	0.000	1	118.2720	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	117.9880	0.000	1	117.9880	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	117.6280	0.000	1	117.6280	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	118.3450	0.000	1	117.6429	0.154	8	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	117.5426	0.292	7	117.6429	0.154	8	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.3520	0.000	1	120.3520	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.3680	0.000	1	119.3680	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	117.6488	0.408	4	118.6567	1.074	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.4630	0.442	5	118.6567	1.074	9	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.4190	0.000	1	118.2825	2.148	4	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	117.5703	0.422	3	118.2825	2.148	4	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.6269	0.304	10	119.7805	0.197	13	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.7290	0.000	1	119.7805	0.197	13	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.5745	0.176	2	119.7805	0.197	13	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|B<4>,1|H<1>,2|C<3>}	119.2213	0.326	7	119.2213	0.106	7	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.2250	0.000	1	120.2250	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<4>,1|O<2>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.4850	0.000	1	119.3205	0.054	2	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.1560	0.000	1	119.3205	0.054	2	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,2|C<3>,2|F<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	117.4660	0.000	1	117.4660	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){2|C<3>,2|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.7820	0.000	1	119.7820	0.000	1	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	120.8235	0.624	2	120.8235	0.390	2	118.9627	1.006	73	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.1010	0.000	1	117.1010	0.000	1	115.8090	1.811	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.4150	0.000	1	114.4150	0.000	1	115.8090	1.811	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9110	0.000	1	115.9110	0.000	1	115.8090	1.811	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.3760	0.000	1	116.3760	0.000	1	116.7748	0.657	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1160	0.262	2	116.1160	0.068	2	116.7748	0.657	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.6330	0.246	2	117.6330	0.061	2	116.7748	0.657	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.2475	0.646	13	115.2475	0.418	13	115.5810	0.833	18	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0120	0.214	4	116.0120	0.046	4	115.5810	0.833	18	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.1920	0.000	1	118.1920	0.000	1	115.5810	0.833	18	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	117.1337	1.002	3	117.1337	1.003	3	117.1337	1.003	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	117.6798	0.331	6	117.6798	0.110	6	117.8491	0.188	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|Br<1>,1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<4>,2|C<3>}	118.3570	0.284	2	118.3570	0.081	2	117.8491	0.188	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6]){2|Cl<1>,1|C<3>,1|C<4>,2|S<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2){1|Cl<1>,1|O<2>,2|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	118.5259	0.255	7	118.5259	0.065	7	118.5259	0.065	7	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,2|F<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5]){1|F<1>,1|N<2>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,2|C<3>}	116.7760	0.000	1	116.7760	0.000	1	116.9847	0.054	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,1|H<1>,2|F<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,2|C<3>}	117.0890	0.206	2	117.0890	0.043	2	116.9847	0.054	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.7970	0.000	1	116.7970	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	117.1270	0.000	1	117.1225	0.000	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	117.1180	0.000	1	117.1225	0.000	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.1510	0.000	1	117.1510	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.7490	0.000	1	114.7490	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.3810	0.000	1	118.2470	0.190	3	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.7600	0.000	1	118.2470	0.190	3	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.6000	0.000	1	118.2470	0.190	3	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	116.3010	0.000	1	116.3010	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	115.2410	0.000	1	115.2410	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	117.1695	0.052	2	117.1695	0.003	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.7345	0.047	2	115.7345	0.002	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.9440	0.000	1	114.9440	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	117.4393	0.397	3	117.1940	0.166	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	116.9487	0.279	3	117.1940	0.166	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[5])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[5])(H){1|N<2>,2|C<4>,3|C<3>}	115.8590	0.000	1	115.8590	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H){1|N<2>,2|C<3>,3|C<4>}	116.8880	0.339	2	116.8260	0.069	3	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H){1|N<2>,2|C<3>,3|C<4>}	116.7020	0.000	1	116.8260	0.069	3	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	118.2410	0.000	1	118.2410	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3860	0.030	2	116.3860	0.001	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.9590	0.000	1	114.9590	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	115.4440	0.000	1	117.4828	1.517	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1370	0.000	1	117.4828	1.517	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.8020	0.000	1	117.4828	1.517	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.2790	0.000	1	117.4828	1.517	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.0740	0.000	1	117.4828	1.517	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.1610	0.000	1	117.4828	1.517	6	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8990	0.000	1	115.8990	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.0290	0.512	2	116.0290	0.262	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.0050	0.000	1	119.0050	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.8060	0.000	1	114.8060	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	114.6460	0.000	1	114.6460	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	121.1750	0.000	1	117.1148	5.406	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.5550	0.426	2	117.1148	5.406	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5910	0.000	1	117.1148	5.406	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	115.6980	0.000	1	117.1148	5.406	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	114.8410	0.000	1	114.8410	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	117.1400	0.000	1	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.1610	0.000	1	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2265	0.555	2	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	117.0882	0.293	17	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.4250	0.000	1	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.3293	0.661	4	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.1710	0.000	1	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.5650	0.000	1	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2480	0.000	1	117.0338	0.322	29	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.9870	0.285	7	115.0175	0.077	8	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2310	0.000	1	115.0175	0.077	8	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>}	116.1380	0.566	2	116.6148	0.533	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6260	0.000	1	116.6148	0.533	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.9930	0.000	1	116.6148	0.533	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	116.1790	0.000	1	116.6148	0.533	5	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	117.8510	0.000	1	117.9115	0.007	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9720	0.000	1	117.9115	0.007	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.6080	0.000	1	117.1740	0.641	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.7400	0.000	1	117.1740	0.641	2	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.2580	0.000	1	118.2580	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.2440	0.000	1	117.2440	0.000	1	116.7373	1.327	95	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.6455	0.286	6	114.5846	0.076	8	114.5846	0.076	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	114.4020	0.173	2	114.5846	0.076	8	114.5846	0.076	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,2|C<4>}	116.2505	0.152	2	116.2505	0.023	2	116.2505	0.023	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl){2|C<3>,2|C<4>}	114.4250	0.000	1	114.4250	0.000	1	116.9573	4.972	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	117.8200	0.000	1	117.8200	0.000	1	116.9573	4.972	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	118.6270	0.000	1	118.6270	0.000	1	116.9573	4.972	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(H)	C[6,6a](C[6,6a]C[5,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(H){1|C<3>,3|C<4>}	114.0450	0.000	1	114.0450	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]2){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.7330	0.000	1	116.7330	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.3580	0.000	1	115.7175	0.820	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.0770	0.000	1	115.7175	0.820	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.1830	0.816	2	116.1830	0.666	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	115.5190	0.000	1	115.5190	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	115.7310	0.000	1	115.7310	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.4245	0.497	2	114.3290	0.151	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.1380	0.000	1	114.3290	0.151	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8848	0.296	5	115.8848	0.088	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]N){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0460	0.000	1	116.0460	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.1850	0.187	2	115.1850	0.035	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.7610	0.000	1	116.5901	0.287	8	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0430	0.000	1	116.5901	0.287	8	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9380	0.000	1	116.5901	0.287	8	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.0130	0.000	1	116.5901	0.287	8	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.5475	0.614	2	116.5901	0.287	8	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.9355	0.675	2	116.5901	0.287	8	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.3380	0.000	1	116.3380	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0860	0.000	1	116.0860	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.8530	0.000	1	115.9570	0.022	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0610	0.000	1	115.9570	0.022	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	115.6700	0.000	1	116.1923	0.246	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.4535	0.286	2	116.1923	0.246	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	115.6830	0.000	1	115.6830	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2680	0.000	1	115.2680	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.3410	0.000	1	117.3410	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	116.8260	0.000	1	116.8260	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C)(H){2|C<3>,2|C<4>}	115.7764	0.260	9	115.7764	0.068	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>}	114.4850	0.000	1	115.1090	0.173	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>}	115.2650	0.262	4	115.1090	0.173	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	114.8530	0.000	1	114.8530	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.9895	0.179	2	114.9895	0.032	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.2270	0.000	1	116.2270	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.8450	0.000	1	113.8450	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.4395	0.531	2	115.4395	0.282	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.7770	0.000	1	114.9762	0.094	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	115.0260	0.330	4	114.9762	0.094	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	118.4510	0.000	1	118.4510	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	115.7440	0.000	1	116.4478	1.779	6	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	116.5886	1.441	5	116.4478	1.779	6	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2920	0.000	1	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2137	0.637	3	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8160	0.000	1	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.8560	0.113	2	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.8260	0.000	1	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.8090	0.085	2	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6430	0.000	1	116.9589	0.300	11	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<4>,2|C<3>}	115.7660	0.000	1	115.7660	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.9920	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6905	0.301	2	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8880	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1665	0.240	2	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.4770	1.121	3	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.6040	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.4420	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.8760	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6210	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	118.1750	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.4877	0.403	3	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.0530	0.000	1	117.3477	0.887	18	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	114.6440	0.000	1	115.5507	0.777	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.0040	0.567	2	115.5507	0.777	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<4>,2|C<3>}	116.2960	0.000	1	116.2960	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4380	0.000	1	116.1970	0.116	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9560	0.000	1	116.1970	0.116	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.0180	0.000	1	116.1042	0.801	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7230	0.000	1	116.1042	0.801	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8380	0.000	2	116.1042	0.801	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7950	0.317	2	116.5581	0.518	7	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3290	0.000	1	116.5581	0.518	7	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9970	0.583	4	116.5581	0.518	7	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	115.0560	0.000	1	115.0560	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.1987	0.885	3	115.4128	0.477	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7340	0.014	2	115.4128	0.477	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.4300	0.878	3	117.2362	0.463	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.0630	0.000	1	117.2362	0.463	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8280	0.000	1	117.2362	0.463	5	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.6793	1.671	3	119.2095	2.745	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.8000	0.000	1	119.2095	2.745	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.1510	0.000	1	117.1510	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	114.6600	0.000	1	116.3955	6.024	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.1310	0.000	1	116.3955	6.024	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.1340	0.000	1	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.4500	0.006	2	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.3110	0.000	1	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8690	0.000	1	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1510	0.000	1	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9390	0.000	1	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3870	0.147	2	116.3420	0.750	9	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9710	0.000	1	117.5493	0.670	6	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.6883	0.460	3	117.5493	0.670	6	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0490	0.000	1	117.5493	0.670	6	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	118.2110	0.000	1	117.5493	0.670	6	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	116.7680	0.000	1	116.7680	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.0390	0.000	1	117.0390	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.5230	0.000	1	119.5230	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>}	119.5800	0.000	1	119.5800	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.3830	0.359	2	117.4657	0.120	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.8670	0.000	1	117.4657	0.120	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.2300	0.000	1	117.4657	0.120	4	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.0850	0.000	1	118.0213	0.050	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.7720	0.000	1	118.0213	0.050	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.2070	0.000	1	118.0213	0.050	3	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.9900	0.000	1	116.9900	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.9360	0.963	2	116.9360	0.928	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	118.0580	0.274	2	118.0580	0.075	2	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.7960	0.000	1	114.7960	0.000	1	116.4705	1.518	168	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	117.2855	0.438	2	117.2855	0.192	2	117.2855	0.192	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	115.9860	0.000	1	115.9860	0.000	1	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	114.5203	0.307	4	114.5203	0.094	4	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	116.1200	0.000	1	116.1200	0.000	1	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	118.1090	0.000	1	118.1090	0.000	1	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	114.8125	0.185	2	114.8125	0.034	2	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,2|C<4>,3|C<3>}	117.0700	0.000	1	117.0700	0.000	1	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	114.5320	0.778	4	114.5320	0.606	4	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	114.9400	0.000	1	116.2837	1.355	3	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	116.9555	0.037	2	116.2837	1.355	3	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	116.9350	0.000	1	117.3170	0.292	2	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	117.6990	0.000	1	117.3170	0.292	2	115.6107	1.765	19	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	117.8063	0.753	3	117.8063	0.567	3	117.7360	0.398	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,3|C<3>}	117.5250	0.000	1	117.5250	0.000	1	117.7360	0.398	4	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	117.9952	3.268	4	117.9952	10.681	4	118.0144	2.994	14	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])2(H){2|C<4>,3|C<3>}	118.3032	0.295	6	118.3032	0.087	6	118.0144	2.994	14	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|O<1>,4|C<3>}	116.4705	0.127	2	116.4705	0.016	2	118.0144	2.994	14	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	118.9900	0.000	1	118.7300	0.135	2	118.0144	2.994	14	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.4700	0.000	1	118.7300	0.135	2	118.0144	2.994	14	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>}	116.9545	0.016	2	116.9545	0.000	2	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,2|C<4>}	117.5220	0.000	1	117.5220	0.000	1	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|Br<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<4>,2|C<3>}	117.5420	0.000	1	117.5420	0.000	1	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Br<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	118.3580	0.000	1	118.3580	0.000	1	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br){1|C<4>,1|H<1>,2|C<3>}	117.4360	0.000	1	117.4215	0.000	2	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(Br){1|C<4>,1|H<1>,2|C<3>}	117.4070	0.000	1	117.4215	0.000	2	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|O<2>}	119.3400	0.000	1	119.3400	0.000	1	117.6893	0.635	8	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|Cl<1>,1|O<2>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	115.8750	0.000	1	115.8750	0.000	1	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,2|C<4>}	115.7350	0.274	2	115.7350	0.075	2	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	118.1470	0.000	1	118.1020	0.036	4	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	118.0870	0.230	3	118.1020	0.036	4	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	116.9070	0.000	1	117.3440	0.382	2	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	117.7810	0.000	1	117.3440	0.382	2	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.8730	0.000	1	119.8730	0.000	1	117.4314	1.835	10	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.7540	0.175	2	116.7540	0.031	2	117.8680	3.738	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|F<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.0960	0.000	1	120.0960	0.000	1	117.8680	3.738	3	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	118.0660	0.000	1	118.0660	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	117.0880	0.000	1	117.0880	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.6535	0.868	2	117.6535	0.753	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.3740	0.000	1	117.3740	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.1960	0.000	1	117.1960	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.4810	0.000	1	115.4810	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5000	0.000	1	115.5000	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2810	0.000	1	115.2810	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.8890	0.668	5	116.8890	0.446	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7840	0.000	1	115.7840	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.2030	0.000	1	116.2030	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6962	0.342	6	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	116.3150	0.000	1	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0610	0.000	1	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.5890	0.000	1	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.9930	0.011	2	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.5690	0.399	3	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.0021	1.302	7	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	116.1990	0.000	1	116.7295	0.607	22	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.3860	0.000	1	116.0990	0.165	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.8120	0.000	1	116.0990	0.165	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.7170	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0580	1.274	2	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6530	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.2760	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4874	0.330	5	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4460	0.964	2	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.9540	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.8305	0.953	6	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	117.1613	1.562	3	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.3847	0.926	7	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	116.2220	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.2285	0.603	2	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0310	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	118.9000	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4890	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.7220	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.8920	0.860	2	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9927	0.249	3	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.7050	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	117.1080	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.8380	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.2480	0.000	1	116.6153	0.664	45	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.1280	0.269	3	116.0902	0.392	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	116.3695	0.275	2	116.0902	0.392	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.9500	1.472	2	116.0902	0.392	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.6990	0.000	1	116.0902	0.392	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>}	116.0870	0.000	1	116.0870	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0570	0.000	1	116.0570	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0930	0.000	1	117.0930	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.3080	0.130	2	117.0373	0.197	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.6010	0.000	1	117.0373	0.197	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.5990	0.000	1	117.0373	0.197	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.6085	0.323	2	117.0373	0.197	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.2280	0.000	1	117.0373	0.197	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|F<1>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9480	0.000	1	117.1242	0.186	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4440	0.000	1	117.1242	0.186	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5340	0.000	1	117.1242	0.186	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3475	0.401	2	117.1242	0.186	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>}	116.5700	0.000	1	116.5700	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>}	116.2590	0.000	1	116.2590	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]C)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	118.3980	0.000	1	118.3980	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	116.9895	1.018	6	116.9895	1.037	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.2140	0.000	1	116.2140	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.2400	0.000	1	115.2400	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	114.6970	0.000	1	115.3083	1.886	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	114.6085	0.511	2	115.3083	1.886	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.3190	0.000	1	115.3083	1.886	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9433	0.499	3	116.3368	3.129	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.5970	0.000	1	116.3368	3.129	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.2570	0.000	1	116.3368	3.129	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	117.1320	0.000	1	117.1320	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.7160	0.000	1	117.7160	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.3920	0.218	2	115.5845	0.121	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5990	0.561	3	115.5845	0.121	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.6983	0.167	3	115.5845	0.121	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	114.8090	0.000	1	114.8090	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4390	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3695	0.186	2	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.6310	0.512	2	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5080	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	116.7570	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.7800	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	114.7900	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.6770	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9210	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1680	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0700	0.194	2	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8405	0.285	4	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8985	0.722	2	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.3910	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2048	0.465	8	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9373	1.152	4	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.5380	1.208	2	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.3900	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.2310	0.707	2	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	115.8340	0.000	1	115.7918	0.540	39	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	114.5033	0.367	3	114.5662	0.129	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	114.9900	0.000	1	114.5662	0.129	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	114.3310	0.000	1	114.5662	0.129	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.5345	0.100	2	116.5345	0.010	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){1|C<3>,3|C<4>}	116.2790	0.000	1	117.5493	0.719	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	117.9300	0.000	1	117.5493	0.719	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	117.9940	0.059	2	117.5493	0.719	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){1|C<4>,3|C<3>}	116.6415	0.624	2	116.6415	0.390	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.1760	0.000	1	117.7080	0.438	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.2400	0.000	1	117.7080	0.438	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.7050	0.000	1	116.7050	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.6910	0.000	1	116.6910	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>}	116.9120	0.000	1	116.9120	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4850	0.000	1	116.4850	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6890	0.000	1	116.6890	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2640	0.110	2	117.2640	0.012	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.5760	0.000	1	117.5760	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5030	0.000	1	117.5364	0.355	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.9730	0.000	1	117.5364	0.355	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.7240	0.000	1	117.5364	0.355	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7410	0.204	2	117.5364	0.355	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	116.4335	0.540	2	116.4335	0.291	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1850	0.000	1	117.6974	0.839	21	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4090	0.156	2	117.6974	0.839	21	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5742	0.719	5	117.6974	0.839	21	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9824	0.912	13	117.6974	0.839	21	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	116.5020	0.000	1	116.5020	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7800	0.000	1	117.7800	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	117.0760	0.000	1	117.0760	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.1880	0.000	1	114.0655	0.752	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.0890	0.950	11	114.0655	0.752	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.8920	0.000	1	114.0655	0.752	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.4615	0.255	2	114.0655	0.752	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.3040	0.000	1	116.3040	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.8475	0.059	2	114.5478	0.122	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.2060	0.000	1	114.5478	0.122	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.2900	0.000	1	114.5478	0.122	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.8520	0.000	1	113.8520	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.5370	0.000	1	114.5370	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	117.6375	1.423	2	117.6375	2.026	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.6183	0.077	3	117.0718	2.119	13	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	117.8078	0.465	10	117.0718	2.119	13	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.1800	0.000	1	114.1800	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6]){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.1120	0.649	2	116.1120	0.421	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.8550	0.000	1	116.1360	1.065	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	115.8285	0.313	2	116.1360	1.065	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	116.5680	0.000	1	116.1360	1.065	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	117.6000	0.000	1	116.1360	1.065	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H){1|C<4>,3|C<3>}	115.6560	0.000	1	116.4677	0.494	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(H){1|C<4>,3|C<3>}	116.8735	0.009	2	116.4677	0.494	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.6800	0.000	1	116.6800	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	118.3360	0.000	1	116.4405	7.186	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.5450	0.000	1	116.4405	7.186	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.4797	0.463	3	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	112.9430	0.000	1	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.8833	0.661	3	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.2670	0.000	1	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.8320	0.000	1	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.1875	0.230	2	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.2770	1.247	2	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.2050	0.000	1	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.6250	0.100	2	114.4072	1.291	16	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.0100	0.000	1	113.0100	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.8385	0.911	2	115.4956	0.296	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	116.0850	0.000	1	115.4956	0.296	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	115.3134	0.413	7	115.4956	0.296	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.9232	0.240	4	113.9636	0.051	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	114.1250	0.000	1	113.9636	0.051	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.7052	0.846	6	114.7641	0.529	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.9410	0.195	2	114.7641	0.529	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	115.2680	0.000	1	114.8717	0.118	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.6550	0.000	1	114.8717	0.118	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.6920	0.000	1	114.8717	0.118	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.6881	1.000	7	114.6881	0.999	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	117.2760	0.000	1	117.2760	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3500	0.000	1	116.3500	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>}	116.3270	0.000	1	116.3270	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6030	0.000	1	117.6030	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7130	0.404	2	116.7130	0.164	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5830	0.000	1	115.9710	0.397	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1953	0.538	3	115.9710	0.397	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.1620	0.000	1	115.9710	0.397	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.4950	0.000	1	115.9710	0.397	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8750	0.000	1	116.8750	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6370	0.000	1	117.1979	0.102	13	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2472	0.295	10	117.1979	0.102	13	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.2320	0.322	2	117.1979	0.102	13	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.3120	0.000	1	117.3120	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	115.2770	0.000	1	115.9707	0.444	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	116.0290	0.000	1	115.9707	0.444	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|Br<1>,1|C<4>,2|C<3>}	116.6060	0.000	1	115.9707	0.444	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4885	0.746	2	116.8150	0.346	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.9740	0.000	1	116.8150	0.346	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3090	0.000	1	116.8150	0.346	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.0400	0.000	1	116.6022	0.766	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7500	0.000	1	116.6022	0.766	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.1720	0.559	2	116.6022	0.766	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5360	0.000	1	116.6022	0.766	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9430	0.000	1	116.6022	0.766	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	115.7990	0.000	1	115.7990	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1870	0.000	1	116.7753	0.342	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0695	0.407	2	116.7753	0.342	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|Cr<9>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.6320	0.000	1	114.6320	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	114.9580	0.000	1	114.9580	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.0640	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.1140	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.2110	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2190	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.7430	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	116.2130	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.2160	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.6185	0.288	2	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4730	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.5330	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	116.7220	0.270	2	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.1730	0.240	6	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.8480	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.1304	0.509	19	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	115.1610	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6200	0.000	1	115.9661	1.138	41	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	115.4380	0.000	1	116.3042	1.067	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	116.0450	0.000	1	116.3042	1.067	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	114.8940	0.000	1	116.3042	1.067	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	116.6520	0.000	1	116.3042	1.067	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	117.3060	0.000	1	116.3042	1.067	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	117.4900	0.000	1	116.3042	1.067	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>}	115.8220	0.000	1	115.8220	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.7400	0.061	2	116.0925	1.495	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	114.2610	0.000	1	116.0925	1.495	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	116.6290	0.000	1	116.0925	1.495	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8920	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	118.1410	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.8070	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.8000	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	117.5020	0.795	2	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.7033	0.314	3	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0155	0.182	2	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.1470	0.027	2	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.6430	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>}	115.0514	0.737	5	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.2090	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	117.3140	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	115.8700	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.9380	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7940	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>}	117.4470	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.0500	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>}	115.9470	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	115.5730	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0820	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.8520	1.328	2	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7560	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	118.4560	0.000	1	116.3066	1.159	33	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	119.1790	0.000	1	119.1790	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7290	0.000	1	117.6313	0.561	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.0530	0.000	1	117.6313	0.561	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.2857	0.266	3	117.6313	0.561	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.1490	0.000	1	117.6313	0.561	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	114.5980	0.000	1	114.5980	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	115.5530	0.000	1	115.5530	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8820	0.000	1	115.8820	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.6200	0.000	1	114.6200	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.9520	0.000	1	116.9520	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>}	115.3890	0.327	2	115.3890	0.107	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,2|C<4>}	115.0980	0.000	1	115.0980	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7080	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.7040	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	116.7170	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.3180	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6550	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4250	0.154	2	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3350	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4140	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.0580	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	116.5770	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5197	0.334	3	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6040	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	118.2350	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	116.7820	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.4670	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.0200	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4065	0.422	2	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2730	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|I<2>,2|C<4>}	115.2345	0.013	2	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	119.7790	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.5030	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7270	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	113.1645	1.034	2	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8380	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0120	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	116.4570	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5995	0.104	2	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.3940	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1000	0.304	8	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.5280	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.6730	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.8550	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.8030	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2655	0.035	2	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9470	0.000	1	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2637	1.276	3	116.7306	1.323	53	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.7650	0.000	1	116.0680	0.433	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.1213	0.213	3	116.0680	0.433	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.7110	0.000	1	116.0680	0.433	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.1660	0.000	1	116.0680	0.433	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.4700	0.000	1	116.0680	0.433	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.0110	0.000	1	116.1333	0.667	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3210	0.000	1	116.1333	0.667	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5440	0.000	1	116.1333	0.667	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.6570	0.000	1	116.1333	0.667	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8060	0.040	2	116.5476	1.620	9	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.9100	0.000	1	116.5476	1.620	9	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.0340	0.000	1	116.5476	1.620	9	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	114.9350	0.000	1	116.5476	1.620	9	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3330	0.000	1	116.5476	1.620	9	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7013	0.565	3	116.5476	1.620	9	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8740	0.000	1	115.8740	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	116.2010	0.409	2	116.2010	0.167	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,4|C<3>}	118.3390	0.000	1	118.3390	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8985	0.357	2	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.6700	0.177	2	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.2490	0.000	1	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.4400	0.000	1	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9650	0.000	1	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	117.6240	0.000	1	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5975	0.189	2	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	118.1440	0.000	1	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.0470	0.000	1	116.9834	1.590	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.4290	0.000	1	116.4290	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4260	0.000	1	115.8730	0.612	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	115.3200	0.000	1	115.8730	0.612	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	117.4290	0.000	1	117.4290	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	117.2460	0.000	1	117.2460	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9303	0.134	3	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.4870	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.0880	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.0110	0.935	2	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|F<1>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9155	0.209	2	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	115.9210	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.3156	0.538	5	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.9338	0.349	4	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.2340	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.4020	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.3180	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>}	117.4910	1.550	2	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Se<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.6650	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5030	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.9180	0.450	2	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5460	0.450	3	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	115.9990	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7397	0.346	3	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1770	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.5091	0.946	9	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6940	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.7023	0.342	3	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	116.1000	0.000	1	116.3982	0.846	50	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.7574	0.714	7	116.2323	1.145	17	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.8452	0.151	4	116.2323	1.145	17	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	115.7810	1.783	2	116.2323	1.145	17	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	114.5970	0.000	1	116.2323	1.145	17	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.1570	0.000	1	116.2323	1.145	17	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.4750	0.229	2	116.2323	1.145	17	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.0070	0.000	1	117.1286	1.009	11	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.8320	0.945	2	117.1286	1.009	11	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6915	0.984	4	117.1286	1.009	11	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7980	0.423	3	117.1286	1.009	11	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5840	0.000	1	117.1286	1.009	11	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0650	0.000	1	116.1050	0.337	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.5690	0.000	1	116.1050	0.337	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.8930	0.839	2	116.1050	0.337	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.2655	0.684	2	118.2655	0.468	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	119.2810	0.000	1	117.9850	3.359	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.6890	0.000	1	117.9850	3.359	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.8900	0.000	1	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	117.4340	0.373	2	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>}	117.1030	0.000	1	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9420	0.619	2	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,2|C<4>}	116.9050	0.000	1	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.4010	0.000	1	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	117.4968	0.474	6	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	120.2660	0.000	1	117.3532	1.052	15	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	116.4190	0.000	1	116.4190	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.1090	0.000	1	117.4380	0.179	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.2890	0.000	1	117.4380	0.179	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	117.9160	0.000	1	117.4380	0.179	3	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.6190	0.000	1	118.6190	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	118.3620	0.000	1	118.3620	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	117.3170	0.000	1	117.5755	0.134	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<3>}	117.8340	0.000	1	117.5755	0.134	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.7230	0.000	1	115.7230	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.8370	0.000	1	117.8370	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.2370	0.000	1	118.2370	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,2|N<3>}	119.3520	0.000	1	119.3520	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.1740	0.000	1	117.2626	0.861	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.1940	0.000	1	117.2626	0.861	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	118.3585	0.231	2	117.2626	0.861	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.3240	0.000	1	117.2626	0.861	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.8060	0.000	1	117.2626	0.861	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	117.4430	0.049	2	117.2626	0.861	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.6430	0.000	1	118.6430	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	116.0200	0.000	1	115.9250	0.018	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.8300	0.000	1	115.9250	0.018	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.0800	0.000	1	116.0800	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,2|N<3>}	118.0690	0.959	5	118.0690	0.920	5	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.1960	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.2930	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<3>}	117.4340	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	119.5220	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	115.6100	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<3>}	116.1495	0.005	2	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.4910	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.3200	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	119.6630	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	119.9180	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	118.6310	0.000	1	117.9481	2.577	12	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.5130	0.274	2	117.5130	0.075	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.2720	0.000	1	118.2720	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.4600	0.000	1	119.4600	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.6520	0.000	1	118.3105	3.814	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	118.2520	0.000	1	118.3105	3.814	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.0860	0.000	1	118.3105	3.814	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	120.2520	0.000	1	118.3105	3.814	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.0440	0.000	1	118.0440	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.6060	0.000	1	116.6060	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.7720	0.000	1	117.7720	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.3920	0.000	1	118.3920	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	117.5985	0.161	2	117.5985	0.026	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.9220	0.000	1	118.9220	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.7130	0.000	1	117.7130	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.8970	0.000	1	117.8970	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.4985	0.151	2	118.2823	0.316	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.4590	0.000	1	118.2823	0.316	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.6730	0.000	1	118.2823	0.316	4	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.4240	0.000	1	117.4240	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.7800	0.000	1	116.7800	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.1340	0.000	1	118.1340	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.1780	0.000	1	118.1780	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>}	118.5050	0.000	1	118.5050	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.2025	0.541	2	118.3927	0.280	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	118.2300	0.000	1	118.3927	0.280	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.4982	0.641	6	118.3927	0.280	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.3030	0.000	1	118.3927	0.280	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.1040	0.000	1	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.9820	0.126	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	117.8830	0.000	1	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.7915	0.156	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	118.4820	0.000	1	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	118.7810	0.191	7	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	116.5730	0.260	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	118.9810	0.386	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	118.3625	0.364	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.0090	0.061	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	119.7120	0.000	1	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	119.0680	0.000	1	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.5400	0.540	2	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.1380	0.000	1	118.3456	0.678	27	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.0456	0.312	7	117.0456	0.097	7	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	117.8615	0.477	8	117.7542	0.248	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.3250	0.423	2	117.7542	0.248	10	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	115.8645	0.764	4	116.6792	2.009	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	118.3085	0.572	2	116.6792	2.009	6	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.2150	0.000	1	116.2150	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.0700	0.000	1	117.0700	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.3565	0.289	2	118.3565	0.084	2	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>}	116.1971	0.796	8	116.1971	0.634	8	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.9950	0.000	1	118.9950	0.000	1	116.5709	1.755	814	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(O){1|O<2>,3|C<4>}	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,2|C<4>}	116.4400	0.000	1	116.4400	0.000	1	116.4400	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	119.7340	0.000	1	119.7340	0.000	1	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(H){2|C<4>,3|C<3>}	115.8877	0.092	3	116.6617	0.427	12	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,4|C<3>}	116.9198	0.534	9	116.6617	0.427	12	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	119.6720	0.000	1	119.6720	0.000	1	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	120.1553	0.652	6	120.1553	0.425	6	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	119.7590	0.000	1	119.7590	0.000	1	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.8395	0.262	2	118.7897	0.042	3	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	118.6900	0.000	1	118.7897	0.042	3	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.3240	0.000	1	118.3240	0.000	1	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	118.0255	0.324	4	118.0255	0.105	4	118.1667	2.380	29	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O){1|C<4>,2|O<2>,3|C<3>}	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>}	118.8065	0.308	2	118.8065	0.095	2	118.8065	0.095	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ga<4>,2|C<3>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,2|C<3>}	119.0690	0.000	1	119.0690	0.000	1	119.3625	0.172	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|N<3>}	119.6560	0.000	1	119.6560	0.000	1	119.3625	0.172	2	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]N[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]N[6]2){1|H<1>,2|C<3>,2|C<4>,2|P<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	114.2770	0.000	1	114.2770	0.000	1	116.8095	1.824	21	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|C<4>,1|H<1>,2|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	116.2665	2.214	2	115.6940	2.071	4	116.8095	1.824	21	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|C<4>,2|C<3>,2|H<1>,2|P<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	115.1215	0.016	2	115.6940	2.071	4	116.8095	1.824	21	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|C<4>,1|H<1>,2|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	118.8570	0.400	2	117.2467	1.054	16	116.8095	1.824	21	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|H<1>,2|C<3>,2|C<4>,2|P<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	117.0166	0.865	14	117.2467	1.054	16	116.8095	1.824	21	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]B)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]B){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	116.6530	0.502	3	116.6530	0.252	3	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]Pd)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]Pd){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	115.6470	1.451	2	115.6470	2.105	2	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	114.4520	0.000	1	114.4520	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	115.9130	1.389	2	115.9130	1.929	2	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OS)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OS){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	115.0920	0.000	1	115.0920	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	115.9556	0.566	5	115.8139	0.339	7	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<7>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	115.4595	0.631	2	115.8139	0.339	7	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	117.1542	0.580	6	117.1542	0.337	6	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	116.3810	0.000	1	116.3810	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	116.6830	0.000	1	117.4815	0.550	4	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	117.7477	0.632	3	117.4815	0.550	4	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.0070	0.000	1	119.0070	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Pd)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Pd){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	118.2950	0.362	2	118.2950	0.131	2	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Ru)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Ru<9>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Ru){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	117.3880	0.000	1	117.3880	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|P<4>}	119.9570	0.000	1	119.9570	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Se)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Se<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Se){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	117.4220	0.000	1	117.4220	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]S[6]S)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|S<1>,1|S<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]S[6]S){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	115.9750	3.301	2	115.9750	10.895	2	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|P<4>}	119.6150	0.000	1	119.6150	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]NN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]NN){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.0240	0.000	1	119.0240	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	117.2250	2.625	2	117.3427	3.486	3	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|P<4>}	117.5780	0.000	1	117.3427	3.486	3	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]HO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	116.9050	0.000	1	116.9050	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OS)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|C<4>,1|S<1>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OS){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|P<4>}	118.4020	0.000	1	118.4020	0.000	1	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]RhO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Rh<4>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]RhO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	117.4755	0.541	2	117.4755	0.293	2	116.9498	2.051	44	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[3,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[3,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	117.7020	0.000	1	117.7020	0.000	1	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	118.2950	0.000	1	118.2950	0.000	1	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	117.7120	0.000	1	117.7120	0.000	1	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.4910	0.000	1	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|S<4>}	115.8670	0.000	1	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	117.8210	0.000	1	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>}	115.3390	0.000	1	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|S<4>}	116.8280	0.929	2	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.8120	0.000	1	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	116.8485	0.490	2	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.6617	0.443	4	116.1023	0.856	13	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	117.4620	0.000	1	117.4620	0.000	1	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	117.8790	0.000	1	115.9628	4.356	5	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.0300	0.000	1	115.9628	4.356	5	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	116.5705	2.703	2	115.9628	4.356	5	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	113.7640	0.000	1	115.9628	4.356	5	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.6000	0.292	4	115.3307	1.342	6	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	116.6400	0.000	1	115.3307	1.342	6	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){2|C<3>,2|H<1>,3|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	116.9440	0.000	1	115.3307	1.342	6	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<2>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|S<4>}	115.4640	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	117.1212	0.260	5	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.4210	2.735	2	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.2490	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<4>}	115.2120	0.484	2	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.5570	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	118.0260	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	116.7710	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>}	115.5765	0.097	4	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.3180	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,1|P<4>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	117.2500	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	117.5460	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.0150	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.1290	0.000	1	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.3927	0.293	6	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	115.4415	0.039	2	115.6046	1.637	31	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.6240	0.000	1	114.3980	0.102	2	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.1720	0.000	1	114.3980	0.102	2	115.8170	1.793	61	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	116.7240	0.000	1	116.7240	0.000	1	119.2174	5.177	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	121.9230	0.000	1	121.5450	0.286	2	119.2174	5.177	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	121.1670	0.000	1	121.5450	0.286	2	119.2174	5.177	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]N[6]C){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	117.4180	0.000	1	117.4180	0.000	1	119.2174	5.177	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[6]CC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	118.8550	0.000	1	118.8550	0.000	1	119.2174	5.177	5	116.9377	2.471	1584	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(O[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,2|C<3>}	117.6020	0.444	2	117.6020	0.197	2	116.7716	1.434	7	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.1800	1.086	3	116.7075	1.679	4	116.7716	1.434	7	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.2900	0.000	1	116.7075	1.679	4	116.7716	1.434	7	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	115.3670	0.000	1	115.3670	0.000	1	116.7716	1.434	7	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>}	116.7490	0.000	1	116.7425	0.000	2	115.9822	0.505	6	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	116.7360	0.000	1	116.7425	0.000	2	115.9822	0.505	6	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|C<4>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	115.9890	0.000	1	115.9890	0.000	1	115.9822	0.505	6	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>}	116.1010	0.000	1	116.1010	0.000	1	115.9822	0.505	6	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.1590	0.028	2	115.1590	0.001	2	115.9822	0.505	6	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.8510	0.547	2	120.8510	0.300	2	120.8510	0.300	2	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	114.5890	0.000	1	114.5890	0.000	1	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	116.0657	0.345	3	116.3885	0.496	4	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	117.3570	0.000	1	116.3885	0.496	4	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	116.8780	0.000	1	116.8780	0.000	1	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.8160	0.000	1	115.8160	0.000	1	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	116.8780	0.000	1	116.8780	0.000	1	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	114.8920	0.000	1	114.8920	0.000	1	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.7550	0.038	2	117.7550	0.001	2	116.3743	1.151	11	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	113.7880	0.000	1	113.8260	0.005	3	114.6040	2.424	4	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,2|C<4>}	113.8450	0.088	2	113.8260	0.005	3	114.6040	2.424	4	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.9380	0.000	1	116.9380	0.000	1	114.6040	2.424	4	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	116.6470	0.000	1	116.8745	0.104	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.1020	0.000	1	116.8745	0.104	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>}	117.0000	0.000	1	117.0000	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	115.1440	0.000	1	115.1440	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.2130	0.000	1	115.2130	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>}	111.2110	0.042	2	111.2110	0.002	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	113.4330	0.000	1	113.4330	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	117.5020	0.000	1	117.5020	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	115.0205	2.898	2	115.0205	8.401	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	115.7650	0.000	1	115.7650	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.1610	0.000	1	116.3375	2.768	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	117.5140	0.000	1	116.3375	2.768	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,3|C<3>}	116.3585	0.627	2	116.4986	0.535	7	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	116.6255	0.046	2	116.4986	0.535	7	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.2230	0.000	1	116.4986	0.535	7	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	117.1495	0.515	2	116.4986	0.535	7	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	116.3120	0.000	1	116.3120	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	114.3520	0.000	1	114.3520	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	116.7900	0.103	2	116.7697	0.007	3	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	116.7290	0.000	1	116.7697	0.007	3	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	116.4410	0.320	2	116.4410	0.102	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.3740	0.105	2	118.3740	0.011	2	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.9080	0.000	1	116.9080	0.000	1	115.9982	3.141	31	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SC[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SC[6]){1|C<3>,1|S<2>,2|C<4>}	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	116.1899	2.973	63	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(CHO)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(COO)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,2|C<4>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	121.2300	0.000	1	121.2300	0.000	1	120.0182	4.940	4	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,2|C<4>}	121.8250	0.000	1	121.8250	0.000	1	120.0182	4.940	4	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	116.8460	0.000	1	116.8460	0.000	1	120.0182	4.940	4	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<3>,3|C<4>}	120.1720	0.000	1	120.1720	0.000	1	120.0182	4.940	4	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	117.6928	1.138	12	117.6928	1.294	12	117.7666	1.257	13	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	118.6530	0.000	1	118.6530	0.000	1	117.7666	1.257	13	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<3>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	115.4230	0.253	2	115.4230	0.064	2	115.4230	0.064	2	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHN)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHN){1|C<4>,1|N<2>,2|C<3>}	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|O<2>,2|C<3>}	119.7605	0.909	2	120.3010	1.289	3	120.3010	1.289	3	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<3>,3|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|O<2>,2|C<3>}	121.3820	0.000	1	120.3010	1.289	3	120.3010	1.289	3	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:S-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|S<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SCO){1|C<3>,1|H<1>,2|C<4>}	116.3385	0.049	2	116.3385	0.002	2	116.3385	0.002	2	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6]){1|C<3>,1|N<2>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,5|C<4>}	117.1430	0.668	2	117.1430	0.446	2	117.1430	0.446	2	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|O<1>,1|O<2>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	116.4663	0.181	4	116.4663	0.033	4	116.5590	0.068	5	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.9300	0.000	1	116.9300	0.000	1	116.5590	0.068	5	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	120.2800	0.000	1	120.2800	0.000	1	120.2800	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	115.6320	0.793	4	115.6320	0.628	4	115.3925	0.821	6	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	114.9135	1.238	2	114.9135	1.533	2	115.3925	0.821	6	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2)(C[6a]C[6a]H){3|C<4>,5|C<3>}	115.5630	0.259	2	115.5630	0.067	2	115.5630	0.067	2	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	116.8780	0.000	1	116.8780	0.000	1	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO){1|C<4>,3|C<3>}	118.0557	0.256	3	118.0557	0.065	3	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO){1|C<3>,3|C<4>}	115.7445	0.125	2	115.7445	0.016	2	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO){1|C<4>,3|C<3>}	117.7790	0.518	2	117.7790	0.268	2	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O){1|C<4>,3|C<3>}	118.3390	0.000	1	118.3390	0.000	1	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H){1|H<1>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	115.2760	0.000	1	115.2760	0.000	1	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	116.1920	0.000	1	116.1180	0.045	3	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	116.0810	0.286	2	116.1180	0.045	3	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	115.4730	0.546	3	115.4730	0.298	3	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	116.6440	0.151	2	116.6440	0.023	2	116.6538	1.237	18	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	114.9875	2.218	4	114.7416	3.993	5	116.3960	10.676	7	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	113.7580	0.000	1	114.7416	3.993	5	116.3960	10.676	7	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,2|N<3>}	120.5320	0.434	2	120.5320	0.188	2	116.3960	10.676	7	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	117.5540	0.000	1	117.5540	0.000	1	117.5540	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC[6a]O){1|C<4>,4|C<3>}	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN){1|Ga<4>,1|C<4>,2|C<3>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6a,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6]){3|H<1>,3|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3){2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]O[6]){1|B<4>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	120.2320	0.355	4	120.2320	0.126	4	120.2320	0.126	4	117.3438	4.215	77	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[5a,6a]H)(CH3)	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>}	119.4690	0.000	1	119.4690	0.000	1	118.7105	1.151	2	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	117.9520	0.000	1	117.9520	0.000	1	118.7105	1.151	2	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[5a,6a]H)(CH3)	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>}	116.3915	0.162	2	116.3915	0.026	2	117.4390	1.474	4	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCHH){2|C<3>,2|C<4>}	118.4300	0.000	1	118.4300	0.000	1	117.4390	1.474	4	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H){2|C<3>,2|C<4>}	118.5430	0.000	1	118.5430	0.000	1	117.4390	1.474	4	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(SiC[6a]3)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O){1|Si<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(SiC[6a]3){1|B<4>,3|C<3>}	117.8170	0.358	2	117.8170	0.128	2	117.8170	0.128	2	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	120.7640	0.000	1	120.7640	0.000	1	120.3147	0.191	3	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	120.2890	0.000	1	120.2890	0.000	1	120.3147	0.191	3	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	119.8910	0.000	1	119.8910	0.000	1	120.3147	0.191	3	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6]){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){2|C<3>,2|C<4>}	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6]){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){4|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	114.7405	0.203	2	114.7405	0.041	2	114.7405	0.041	2	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<4>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	115.8085	0.045	4	115.8085	0.002	4	116.0559	0.813	14	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<4>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|H<1>,2|C<4>}	116.1548	1.065	10	116.1548	1.135	10	116.0559	0.813	14	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CBrHH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CBrHH){2|C<3>,2|C<4>}	113.5130	0.000	1	113.5130	0.000	1	115.5630	2.619	7	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|O<2>,2|O<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3){1|C<4>,2|C<3>}	114.7230	0.000	1	114.7230	0.000	1	115.5630	2.619	7	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	117.7745	0.351	2	117.7745	0.124	2	115.5630	2.619	7	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	114.8050	0.000	1	115.0520	0.058	3	115.5630	2.619	7	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|H<1>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	115.1755	0.158	2	115.0520	0.058	3	115.5630	2.619	7	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PRhCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PRhCC){1|C<3>,3|C<4>}	116.1655	0.142	2	116.1655	0.020	2	116.1655	0.020	2	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiRuCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6]){1|Ru<9>,1|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru){2|Si<4>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiRuCC){1|C<3>,1|H<1>,2|C<4>}	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(CH3)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(CH3){1|C<4>,3|C<3>}	116.4698	0.298	6	116.4698	0.089	6	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH){1|C<4>,3|C<3>}	115.5950	0.000	1	116.0915	0.318	6	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH){1|C<4>,3|C<3>}	116.1908	0.569	5	116.0915	0.318	6	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	113.9140	0.000	1	113.9140	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	114.7283	0.307	3	115.2793	0.420	11	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|S<4>,2|C<4>}	114.3210	0.000	1	115.2793	0.420	11	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	115.6863	0.065	3	115.2793	0.420	11	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	115.6268	0.631	4	115.2793	0.420	11	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6]HH){1|Cl<1>,1|C<3>,2|C<4>}	115.8960	0.000	1	115.8960	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	113.6420	0.000	1	114.7877	0.989	3	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	115.4250	0.000	1	114.7877	0.989	3	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	115.2960	0.000	1	114.7877	0.989	3	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(CH3){1|C<3>,1|O<2>,2|C<4>}	115.6450	0.000	1	115.6450	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	114.2935	0.029	2	114.2935	0.001	2	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	114.5575	0.337	2	114.5575	0.114	2	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	116.7510	0.000	1	116.7510	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	116.9410	0.000	1	116.9410	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){2|C<3>,2|C<4>}	117.5670	0.000	1	115.9245	5.396	2	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	114.2820	0.000	1	115.9245	5.396	2	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	117.4110	0.000	1	117.4110	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,3|C<4>}	116.2027	0.750	3	116.2027	0.563	3	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<3>,3|C<4>}	117.8770	0.270	2	117.6075	0.150	4	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<3>,3|C<4>}	117.3380	0.294	2	117.6075	0.150	4	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	116.8310	0.185	2	116.8310	0.034	2	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,3|C<4>}	116.6700	0.021	4	116.6700	0.000	4	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	116.7590	0.000	1	116.7590	0.000	1	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.9305	1.084	2	117.9305	1.175	2	116.0354	1.274	54	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC3){1|C<4>,4|C<3>}	117.0910	0.000	1	117.5350	0.151	3	116.9098	0.638	6	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC3){1|C<4>,4|C<3>}	117.7570	0.082	2	117.5350	0.151	3	116.9098	0.638	6	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CCHH){1|C<4>,4|C<3>}	116.2847	0.521	3	116.2847	0.272	3	116.9098	0.638	6	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|Cl<1>,1|C<3>,1|N<4>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO){2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Ga<4>,1|C<3>,2|C<4>}	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[5,6]IO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|I<1>,1|N<4>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[5,6]IO){2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,2|C<4>}	122.2860	0.000	1	122.2860	0.000	1	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]BrO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|Br<1>,1|C<3>,1|N<4>,1|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]BrO){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,2|C<4>}	121.2040	0.000	1	121.2040	0.000	1	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<4>,2|C<3>}	121.2752	0.251	4	121.4112	0.140	5	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,2|C<4>}	121.9550	0.000	1	121.4112	0.140	5	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]CC){1|In<4>,1|C<4>,2|C<3>}	120.3587	0.038	3	120.3587	0.001	3	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Cl<1>,1|C<3>,1|N<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,2|C<4>}	119.9690	0.000	1	119.0730	1.606	2	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Cl<1>,1|C<3>,1|N<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2){2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,2|C<4>}	118.1770	0.000	1	119.0730	1.606	2	120.8140	1.178	12	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiC[6a]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){1|Si<4>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiC[6a]3){1|In<4>,1|C<4>,2|C<3>}	116.9930	0.566	2	118.1293	1.002	6	118.1293	1.002	6	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiC[6a]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){1|Si<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(SiC[6a]3){1|In<4>,1|C<4>,2|C<3>}	118.6975	0.521	4	118.1293	1.002	6	118.1293	1.002	6	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OO){2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	114.4485	0.431	2	114.4485	0.185	2	114.4485	0.185	2	116.8686	4.037	121	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	118.0170	0.000	1	118.0170	0.000	1	118.1537	0.049	3	117.6303	1.129	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.0340	0.000	1	118.0340	0.000	1	118.1537	0.049	3	117.6303	1.129	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>}	118.4100	0.000	1	118.4100	0.000	1	118.1537	0.049	3	117.6303	1.129	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	117.6303	1.129	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	4:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	117.6570	0.000	1	118.0915	0.378	2	118.0915	0.378	2	118.0915	0.378	2	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:4:	4:3:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	118.5260	0.000	1	118.0915	0.378	2	118.0915	0.378	2	118.0915	0.378	2	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:5:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6,6]-5:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,2|C<3>}	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	118.3580	0.155	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:5:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<5>,2|C<3>}	118.5805	0.112	2	118.5805	0.013	2	118.5805	0.013	2	118.3580	0.155	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6,6]-5:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6,6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Ga<5>,1|C<4>,2|C<3>}	117.7570	0.000	1	117.7570	0.000	1	117.7570	0.000	1	120.7834	4.877	5	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[4,6]-5:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(In[4,6]N[6]O[4]2I)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[4,6]){1|C<3>,1|I<1>,1|N<4>,2|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[4,6]N[6]O[4]2I){1|In<5>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,2|C<4>}	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	120.7834	4.877	5	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-5:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Br2O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Br<1>,1|C<3>,1|N<4>,1|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Br2O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,2|C<4>}	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	120.7834	4.877	5	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6]){1|C<3>,1|N<3>,3|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|C<3>,1|P<5>,2|C<4>}	122.9365	0.343	2	122.9365	0.118	2	122.9365	0.118	2	120.7834	4.877	5	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:6:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[5,6]-6:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,6]N[5,6]2O[6]OO)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|O<3>,2|C<3>,2|N<3>,4|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,6]N[5,6]2O[6]OO){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(H){1|Ga<6>,1|H<1>,2|C<3>}	117.9095	0.622	2	117.9095	0.386	2	117.9095	0.386	2	117.3124	0.682	5	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:6:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[3x6]-6:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]Si[3x6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]Si[3x6]){1|H<1>,2|O<2>,3|C<3>,3|N<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2){1|H<1>,3|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(H){1|Si<6>,3|C<3>}	116.9143	0.759	3	116.9143	0.576	3	116.9143	0.576	3	117.3124	0.682	5	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:6:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Nb[6,6]-6:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6]){1|C<3>,1|N<2>,1|N<4>,1|O<2>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN){4|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|H<1>,2|C<3>}	120.6930	0.000	1	119.8305	1.488	2	119.8305	1.488	2	119.9853	0.816	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:6:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Nb[6,6]-6:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6]){1|C<3>,1|N<2>,1|N<4>,1|O<2>,3|H<1>,3|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN){4|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|C<3>,1|C<4>,1|H<1>}	118.9680	0.000	1	119.8305	1.488	2	119.8305	1.488	2	119.9853	0.816	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	3:6:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Nb[6]-6:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6])	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6]N[6]Cl2OO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6]N[6]Cl2OO){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|C<4>,2|C<3>}	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	119.9853	0.816	3	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.7620	0.000	1	117.8360	0.011	2	117.8360	0.011	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	117.9100	0.000	1	117.8360	0.011	2	117.8360	0.011	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[3x6])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[3x6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]2)(H){1|B<4>,1|H<1>,4|C<3>}	118.7810	0.124	2	118.7810	0.015	2	118.7810	0.015	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.7190	0.000	1	119.4413	0.235	3	118.2965	1.092	8	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	119.7240	0.000	1	119.4413	0.235	3	118.2965	1.092	8	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.8810	0.000	1	119.4413	0.235	3	118.2965	1.092	8	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]N[5a,6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O[6](B[5,6]C[5,6a]N[5a,6]O[5])(C[6,6a]C[6,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Br)(H){1|B<4>,1|H<1>,2|C<3>}	117.8595	0.650	2	117.8595	0.422	2	118.2965	1.092	8	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,2|H<1>,4|C<3>}	O[6](B[5,6]C[5,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	117.8450	0.000	1	117.8450	0.000	1	118.2965	1.092	8	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](B[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|B<4>,3|C<3>}	117.2420	0.088	2	117.2420	0.008	2	118.2965	1.092	8	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|B<4>,1|H<1>,2|C<3>}	118.4170	0.000	1	118.4170	0.000	1	118.3190	0.007	3	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|F<1>,1|O<2>,2|H<1>,2|N<3>}	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|B<4>,1|H<1>,2|C<3>}	118.2700	0.013	2	118.2700	0.000	2	118.3190	0.007	3	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.1540	0.000	1	118.1540	0.000	1	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	117.7400	0.000	1	117.7400	0.000	1	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.1930	0.000	1	118.1930	0.000	1	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.4850	0.000	1	118.4850	0.000	1	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,2|H<1>,4|C<3>}	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	117.5185	0.257	2	117.5185	0.066	2	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>}	118.8607	0.569	6	118.8141	0.383	10	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.7442	0.772	4	118.8141	0.383	10	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	118.1845	0.235	2	118.1845	0.055	2	118.4511	0.437	18	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6a]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.4960	0.000	1	120.4960	0.000	1	119.4930	0.896	3	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6a]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,2|C<3>}	118.9915	0.532	2	118.9915	0.284	2	119.4930	0.896	3	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Br){1|Cl<1>,1|C<3>,2|C<4>}	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.5670	0.000	1	116.5670	0.000	1	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	115.8930	0.232	2	115.8930	0.054	2	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6a]C[3x6]2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]2)(C[6,6a]C[6,6a]C[6a]){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.1910	0.000	1	118.1910	0.000	1	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.0605	1.100	2	114.0605	1.209	2	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	113.7850	0.000	1	113.7850	0.000	1	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.4990	0.000	1	117.4990	0.000	1	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.5690	0.000	1	117.5690	0.000	1	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7085	0.234	2	117.7085	0.055	2	116.2668	2.866	11	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[4x6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[4x6]){2|H<1>,5|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	114.1900	0.089	2	114.1900	0.008	2	114.1900	0.008	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6])	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,4|C<4>}	119.7830	0.000	1	119.9570	0.061	2	119.9570	0.061	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,4|C<4>}	120.1310	0.000	1	119.9570	0.061	2	119.9570	0.061	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	116.3505	0.175	2	116.4407	0.040	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	116.6210	0.000	1	116.4407	0.040	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.4420	0.000	1	115.1470	0.994	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.8520	0.000	1	115.1470	0.994	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	117.0340	0.000	1	117.0340	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	115.2327	0.375	3	115.2327	0.140	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	116.8930	0.000	1	116.8930	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|O<2>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.5370	0.648	2	115.5370	0.420	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.6500	0.000	1	116.6500	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.2155	0.105	2	117.2155	0.011	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.0300	0.000	1	116.0300	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.3310	0.000	1	117.3310	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(H)	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(H){1|C<3>,3|C<4>}	115.2180	0.000	1	115.2180	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)(H){1|C<3>,3|C<4>}	116.1925	0.729	2	116.1925	0.531	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.1050	0.000	1	117.1050	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.6715	3.003	2	113.6715	9.019	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.4080	0.000	1	114.4080	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	113.9290	0.000	1	113.9290	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.8200	0.000	1	116.8200	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.0540	0.000	1	118.0540	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.2865	2.088	2	117.7704	3.864	5	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.4263	2.259	3	117.7704	3.864	5	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	119.7983	0.079	3	119.7983	0.006	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.0360	0.000	1	118.0360	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	115.5720	0.000	1	115.5720	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.8390	0.000	1	117.8390	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	117.7160	0.000	1	117.7160	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5190	0.088	2	115.5190	0.008	2	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.2350	0.000	1	117.9247	0.369	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.3820	0.000	1	117.9247	0.369	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	118.1570	0.000	1	117.9247	0.369	3	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.7380	0.000	1	117.7380	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	115.3270	0.000	1	115.3270	0.000	1	116.6371	2.872	46	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	114.8485	0.759	2	114.8485	0.576	2	114.8485	0.576	2	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	117.8427	0.849	3	117.8427	0.720	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	116.7450	0.259	2	116.5537	0.143	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	116.1710	0.000	1	116.5537	0.143	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.1760	0.000	1	116.1760	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.3380	0.000	1	117.3380	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.4660	0.000	1	116.4660	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	114.9095	0.108	2	114.9095	0.012	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2920	0.000	1	115.2920	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.2835	0.612	2	115.4120	0.237	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.6690	0.000	1	115.4120	0.237	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	114.9980	0.000	1	114.9980	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.0983	0.465	3	116.2712	0.267	11	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4232	0.609	6	116.2712	0.267	11	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	116.2750	0.000	1	116.2712	0.267	11	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8740	0.000	1	116.2712	0.267	11	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	114.1450	0.000	1	114.9510	1.299	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>}	115.7570	0.000	1	114.9510	1.299	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.7690	0.000	1	116.7690	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	114.7550	0.000	1	115.7380	1.199	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.9180	0.000	1	115.7380	1.199	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.5410	0.000	1	115.7380	1.199	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.0435	0.141	2	115.0435	0.020	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.3615	0.161	2	117.3615	0.026	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.2940	0.000	1	117.0017	0.135	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.4830	0.000	1	117.0017	0.135	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.4840	0.000	1	117.0017	0.135	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	116.9163	0.185	3	117.0017	0.135	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.6870	0.000	1	116.6870	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.0965	0.343	2	117.0965	0.118	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	116.1120	0.000	1	116.1120	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(H){1|C<3>,3|C<4>}	116.8020	0.000	1	116.8020	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	115.2790	0.000	1	115.2790	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.2150	0.000	1	114.2150	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	115.8515	0.316	2	115.8515	0.100	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	112.8080	0.000	1	114.2233	1.554	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	114.9310	0.322	2	114.2233	1.554	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.8457	0.448	3	116.9825	0.209	4	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	117.3930	0.000	1	116.9825	0.209	4	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4200	0.000	1	117.4200	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6a]C[6,6a]C[6a]){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.9890	0.000	1	115.9890	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	118.9565	0.643	2	118.9565	0.413	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.8715	0.292	2	115.8715	0.085	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	117.7450	0.092	2	117.7450	0.008	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.6540	0.000	1	117.6540	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2370	0.000	1	117.7503	0.342	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.4897	0.445	3	117.7503	0.342	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	118.3980	0.078	2	117.7503	0.342	6	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.4440	0.000	1	115.3813	0.181	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.3500	0.597	2	115.3813	0.181	3	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.7120	0.085	2	116.7120	0.007	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	115.6275	0.128	2	115.6275	0.016	2	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9020	0.000	1	117.9020	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.3150	0.000	1	119.3150	0.000	1	116.4523	1.423	83	116.8763	2.518	184	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]O)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	118.2500	0.000	1	118.2500	0.000	1	118.2500	0.000	1	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	118.5745	0.408	2	118.5745	0.166	2	117.8177	0.474	6	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a]){1|B<4>,1|H<1>,2|C<3>}	117.4393	0.403	4	117.4393	0.162	4	117.8177	0.474	6	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|B<4>,1|H<1>,2|C<3>}	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	116.6755	0.009	2	116.6755	0.000	2	115.7279	0.645	7	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	116.2460	0.000	1	116.2460	0.000	1	115.7279	0.645	7	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	115.1245	0.343	4	115.1245	0.117	4	115.7279	0.645	7	116.7864	1.614	16	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6])	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])2(CCO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])2(CCO){2|C<3>,3|C<4>}	116.3860	0.000	1	116.3860	0.000	1	116.3860	0.000	1	116.2242	0.086	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){2|H<1>,2|O<2>,3|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	115.9785	0.052	2	115.9785	0.003	2	116.1703	0.112	3	116.2242	0.086	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){2|H<1>,2|O<2>,3|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,2|C<3>}	116.5540	0.000	1	116.5540	0.000	1	116.1703	0.112	3	116.2242	0.086	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	118.8730	2.506	2	118.8730	6.280	2	118.8730	6.280	2	117.0585	6.484	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH){2|C<3>,2|C<4>}	115.2440	0.042	2	115.2440	0.002	2	115.2440	0.002	2	117.0585	6.484	4	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[5,6])	O[6](Ga[5,6]N[5,6]O[5]OO)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|C<3>,1|N<4>,1|O<3>,2|O<2>,4|H<1>}	O[6](Ga[5,6]N[5,6]O[5]OO)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>}	118.5000	0.000	1	118.5000	0.000	1	118.5000	0.000	1	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>}	118.9800	0.479	2	118.9562	0.422	4	118.9562	0.422	4	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<4>,1|O<2>,2|N<3>,3|H<1>}	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,2|C<3>}	119.6520	0.000	1	118.9562	0.422	4	118.9562	0.422	4	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<4>,2|N<3>,2|O<2>,3|H<1>}	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>}	118.2130	0.000	1	118.9562	0.422	4	118.9562	0.422	4	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Ge[3x6])	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Ge[3x6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,2|C<3>}	117.8495	0.523	2	117.8495	0.273	2	117.8495	0.273	2	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6])	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,2|C<3>}	118.7985	1.824	2	118.7985	3.326	2	118.6688	1.527	4	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6])	O[6](Si[3x6]N[5a,6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	O[6](Si[3x6]N[5a,6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,2|C<3>}	118.5390	1.090	2	118.5390	1.189	2	118.6688	1.527	4	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[5,6])	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[5,6]){1|Si<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(H){1|Si<5>,1|H<1>,2|C<3>}	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.6033	0.708	12	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]Ga[3x6])	O[6](Ga[3x6]N[5a,6,6]2N[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]Ga[3x6]){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	O[6](Ga[3x6]N[5a,6,6]2N[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,9|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|Ga<5>,1|H<1>,2|C<3>}	115.6080	0.223	2	115.6080	0.050	2	115.6080	0.050	2	115.6080	0.050	2	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[3x6])	O[6](Ga[3x6]N[6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[3x6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](Ga[3x6]N[6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Ga<5>,1|C<4>,2|C<3>}	119.4770	1.464	2	119.4770	2.142	2	119.4770	2.142	2	119.7525	1.681	11	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6])	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Ge<5>,1|C<4>,2|C<3>}	118.3815	0.433	2	118.7150	0.798	4	118.7150	0.798	4	119.7525	1.681	11	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6])	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|Ge<5>,1|O<2>,2|C<3>}	119.0485	1.327	2	118.7150	0.798	4	118.7150	0.798	4	119.7525	1.681	11	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]C)(O[6]In[3x6])	O[6](In[3x6]N[6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]C)(O[6]In[3x6]){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[6](In[3x6]N[6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){2|P<4>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,1|C<4>,1|P<4>}	120.6205	1.797	2	120.6205	3.228	2	120.6205	3.228	2	119.7525	1.681	11	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6])	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6]){2|Cl<1>,1|C<3>,2|N<4>,4|H<1>}	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<3>,6|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,2|C<4>}	120.7345	0.392	2	120.7407	0.077	3	120.7407	0.077	3	119.7525	1.681	11	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6])	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6]){2|Cl<1>,1|C<3>,2|N<4>,4|H<1>}	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a]){2|C<3>,7|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,2|C<4>}	120.7530	0.000	1	120.7407	0.077	3	120.7407	0.077	3	119.7525	1.681	11	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	6:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6])	O[6](Ga[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](Ga[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Ga<6>,1|H<1>,2|C<3>}	119.2707	0.515	3	119.2707	0.265	3	119.2707	0.265	3	118.5383	0.479	8	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	6:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[6x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]In[6x6])	O[6](In[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]In[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](In[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,2|C<3>}	118.1177	0.319	3	118.1177	0.102	3	118.1177	0.102	3	118.5383	0.479	8	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	0:SP2_SP2_SP2	C[6,6a]	O[6]	C[6a]	3:3:2:	6:3:	3:3:1:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6,6])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6,6]){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,2|C<3>}	118.0705	0.203	2	118.0705	0.041	2	118.0705	0.041	2	118.5383	0.479	8	116.6913	3.374	4083	116.5976	3.463	4350
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:2:3:	3:6:	3:3:3:	C[6,6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:Ga[5,5,6]-6:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H)	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,5,6]N[5,6]4O[6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H){2|C<3>,3|O<2>,4|N<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,5,6]N[5,6]4O[6]){11|C<3>,1|H<1>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	123.0650	0.000	1	123.0650	0.000	1	123.0650	0.000	1	123.0650	0.000	1	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	121.3810	0.000	1	121.3810	0.000	1	120.2007	0.145	31	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	119.7470	0.308	2	120.1613	0.100	30	120.2007	0.145	31	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	120.1909	0.301	28	120.1613	0.100	30	120.2007	0.145	31	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	120.8680	0.143	6	120.8680	0.020	6	120.8680	0.020	6	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	120.0162	0.812	4	120.0162	0.659	4	119.8689	0.324	8	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	119.7215	0.197	4	119.7215	0.039	4	119.8689	0.324	8	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<3>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2){1|C<2>,1|H<1>,5|C<3>}	120.4495	0.002	2	120.4495	0.000	2	121.2327	0.766	12	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	122.0057	0.391	6	122.0057	0.153	6	121.2327	0.766	12	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<3>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2){1|C<2>,1|H<1>,5|C<3>}	120.3645	0.493	2	120.4650	0.163	4	121.2327	0.766	12	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	120.5655	0.455	2	120.4650	0.163	4	121.2327	0.766	12	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>}	121.1960	0.000	1	121.1960	0.000	1	121.1960	0.000	1	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	120.9107	0.360	3	120.9107	0.130	3	120.9107	0.130	3	120.4771	0.493	61	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:P[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6,6a]O[6])2(P[6,6]C[6,6a]2O)	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a]){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]O[6])2(P[6,6]C[6,6a]2O){2|O<2>,5|C<3>}	123.0375	0.284	2	123.0375	0.080	2	123.0375	0.080	2	121.0070	3.326	8	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	121.1260	0.000	1	121.1260	0.000	1	119.9440	5.580	3	121.0070	3.326	8	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H){2|H<1>,5|C<3>}	119.3530	3.011	2	119.3530	9.065	2	119.9440	5.580	3	121.0070	3.326	8	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){1|C<4>,3|H<1>,4|C<3>}	120.6260	0.000	1	120.5610	0.008	2	120.5610	0.008	2	121.0070	3.326	8	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){1|C<4>,3|H<1>,4|C<3>}	120.4960	0.000	1	120.5610	0.008	2	120.5610	0.008	2	121.0070	3.326	8	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)	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)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|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>}	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	121.0070	3.326	8	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	120.3760	0.000	1	120.3760	0.000	1	120.3760	0.000	1	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.8760	0.598	2	121.8760	0.358	2	121.9600	0.097	7	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.8440	0.000	1	121.9936	0.050	5	121.9600	0.097	7	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	121.9670	0.250	3	121.9936	0.050	5	121.9600	0.097	7	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	122.2230	0.000	1	121.9936	0.050	5	121.9600	0.097	7	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	120.7082	1.040	6	120.7082	1.081	6	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	121.2585	0.188	6	121.2585	0.035	6	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2Cu)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2Cu)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	120.1188	0.163	11	120.1188	0.027	11	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2N)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2N)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	121.0415	0.391	11	121.0415	0.153	11	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6]){2|H<1>,5|C<3>}	122.7815	0.612	2	122.7815	0.374	2	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	120.6438	0.660	6	120.8514	0.160	78	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	120.8687	0.373	72	120.8514	0.160	78	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	121.1578	0.594	6	121.2610	1.234	34	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	121.2831	1.200	28	121.2610	1.234	34	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6,6a](P[3x6]C[6,6,6a]2Se)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](P[3x6]C[6,6,6a]2Se)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	120.9089	0.311	22	120.9089	0.097	22	120.9377	0.487	170	120.9747	0.510	178	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF){1|H<1>,1|N<3>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6]){1|B<4>,2|C<3>,4|H<1>}	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	121.3349	1.224	7	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	120.0435	0.146	2	120.0435	0.021	2	120.0435	0.021	2	121.3349	1.224	7	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6])	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6]){1|H<1>,8|C<3>}	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	121.3349	1.224	7	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO)	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(O[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO){1|O<2>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	121.6915	1.306	2	121.6915	1.706	2	121.6915	1.706	2	121.3349	1.224	7	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	121.3349	1.224	7	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[5,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6])	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5])	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6]){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5]){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H){2|C<4>,2|H<1>,4|C<3>}	122.2440	0.187	2	122.2440	0.035	2	122.2440	0.035	2	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]O[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]O[6]HH)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]O[6a])(O[6]C[6]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){3|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){3|C<3>,3|H<1>,4|C<4>}	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|H<1>,4|C<4>}	120.4470	0.000	1	120.4470	0.000	1	121.4887	1.261	3	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|C<4>,4|H<1>}	122.0095	0.945	2	122.0095	0.894	2	121.4887	1.261	3	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){2|H<1>,4|C<3>,4|C<4>}	121.7410	0.294	2	121.7410	0.087	2	121.7410	0.087	2	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|H<1>,4|C<4>}	118.6320	0.000	1	116.6327	3.026	3	116.6327	3.026	3	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|C<4>,4|H<1>}	115.6330	0.236	2	116.6327	3.026	3	116.6327	3.026	3	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H){2|C<3>,2|H<1>,5|C<4>}	119.2610	0.000	1	118.9930	0.144	2	121.5078	4.135	6	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H){2|C<3>,2|H<1>,5|C<4>}	118.7250	0.000	1	118.9930	0.144	2	121.5078	4.135	6	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|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]O[6]H){2|C<3>,2|C<4>,5|H<1>}	122.3545	0.019	2	122.3545	0.000	2	121.5078	4.135	6	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	122.5120	0.000	1	122.5120	0.000	1	121.5078	4.135	6	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH)	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	123.8400	0.000	1	123.8400	0.000	1	121.5078	4.135	6	120.7794	5.652	19	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6]C[6]O[6])	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6]C[6]O[6]){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C)	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2{2|C<3>,3|H<1>,4|C<4>}	117.9070	0.000	1	117.9070	0.000	1	121.3795	5.804	4	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,3|H<1>,5|C<4>}	123.4750	0.000	1	122.5370	0.667	3	121.3795	5.804	4	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	122.0680	0.123	2	122.5370	0.667	3	121.3795	5.804	4	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	121.6393	1.614	3	122.3555	3.787	4	122.3555	3.787	4	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	124.5040	0.000	1	122.3555	3.787	4	122.3555	3.787	4	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2{2|C<3>,3|H<1>,4|C<4>}	121.6920	0.000	1	121.6920	0.000	1	122.3065	0.755	2	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC)	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	122.9210	0.000	1	122.9210	0.000	1	122.3065	0.755	2	121.4314	4.613	12	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	3:6:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[5,6]-6:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,6]N[5,6]2O[6]OO)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|O<3>,2|C<3>,2|N<3>,4|O<2>}	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,6]N[5,6]2O[6]OO){1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	122.4390	0.102	2	122.4390	0.010	2	122.4390	0.010	2	122.4390	0.010	2	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]2)(C[6a]C[6a]O)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6]){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	123.2640	0.000	1	123.2640	0.000	1	123.2640	0.000	1	123.2640	0.000	1	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.3590	0.000	1	121.4650	0.022	2	121.4650	0.022	2	121.4650	0.022	2	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.5710	0.000	1	121.4650	0.022	2	121.4650	0.022	2	121.4650	0.022	2	120.9142	1.153	292	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]O[6]){2|H<1>,5|C<3>}	120.4180	0.033	2	120.0921	0.148	21	120.0921	0.148	21	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]O[6]){2|H<1>,5|C<3>}	120.0578	0.389	19	120.0921	0.148	21	120.0921	0.148	21	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<2>,6|C<3>}	120.9900	0.000	1	120.9900	0.000	1	120.7523	1.552	11	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6]){1|H<1>,1|O<2>,6|C<3>}	120.3453	1.168	8	120.3453	1.365	8	120.7523	1.552	11	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a]){6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6]){2|O<2>,6|C<3>}	122.2615	0.159	2	122.2615	0.025	2	120.7523	1.552	11	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	121.4090	0.270	2	120.8712	1.455	12	120.8712	1.455	12	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	120.7437	0.906	6	120.8712	1.455	12	120.8712	1.455	12	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){3|H<1>,5|C<3>}	120.7938	1.927	4	120.8712	1.455	12	120.8712	1.455	12	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]O[6]){2|H<1>,5|C<3>}	119.1580	0.000	1	119.1580	0.000	1	119.1580	0.000	1	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6]){6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|H<1>,6|C<3>}	119.6570	0.000	1	119.6570	0.000	1	120.0190	0.262	2	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.3810	0.000	1	120.3810	0.000	1	120.0190	0.262	2	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6]){6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){3|H<1>,5|C<3>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	120.4059	0.919	48	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]S[6])	O[6](C[6,6a]C[6,6a,6a]C[6,6a])(S[6]O[6]OO)	C[6,6a,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]S[6]){1|O<2>,3|O<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6,6a])(S[6]O[6]OO){4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	117.0690	0.000	1	117.0690	0.000	1	117.0690	0.000	1	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	121.4661	0.290	32	121.4661	0.084	32	120.7719	0.418	83	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|H<1>,3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])2{1|B<4>,2|H<1>,4|C<3>}	120.4011	0.349	31	120.3363	0.131	51	120.7719	0.418	83	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|S<2>,3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])2{1|B<4>,2|H<1>,4|C<3>}	120.3366	0.104	8	120.3363	0.131	51	120.7719	0.418	83	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6]){3|C<3>,4|O<2>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])2{1|B<4>,2|H<1>,4|C<3>}	120.1689	0.463	12	120.3363	0.131	51	120.7719	0.418	83	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	120.2720	0.000	1	120.2720	0.000	1	120.4460	0.061	2	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	120.6200	0.000	1	120.6200	0.000	1	120.4460	0.061	2	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6]){1|B<4>,1|H<1>,1|N<4>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N){1|H<1>,1|N<4>,2|O<2>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>}	119.6045	0.172	2	119.6045	0.030	2	119.6045	0.030	2	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6])	C[6,6a,6a](C[6,6a]C[3x6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[3x6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.1990	0.000	1	120.1990	0.000	1	120.1990	0.000	1	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,4|H<1>}	117.8065	0.319	2	117.8065	0.102	2	117.9170	0.051	4	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,4|H<1>}	118.0275	0.059	2	118.0275	0.003	2	117.9170	0.051	4	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.2820	0.000	1	119.2820	0.000	1	118.6927	0.380	3	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6])	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,4|H<1>}	118.3980	0.488	2	118.3980	0.238	2	118.6927	0.380	3	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[3x6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]O[6]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.2625	0.122	2	119.2625	0.015	2	119.2625	0.015	2	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a]C[6a]O[6])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.7278	1.430	12	121.7278	2.044	12	121.5837	2.143	13	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|C<3>,2|N<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.8540	0.000	1	119.8540	0.000	1	121.5837	2.143	13	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoF)	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6]){1|Mo<6>,1|F<1>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoF){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2){1|P<4>,2|C<3>,4|H<1>}	119.4795	0.363	2	119.4795	0.132	2	119.2858	0.116	6	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoO)	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]P[6]){1|Mo<6>,1|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]O[6]MoO){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])2(C[6a,6a]C[6a]2){1|P<4>,2|C<3>,4|H<1>}	119.1890	0.334	4	119.1890	0.112	4	119.2858	0.116	6	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]O[6]OO)	C[6,6a,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]S[6]){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]O[6]OO){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	120.5290	1.251	120	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:6:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[3x6]-6:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]Si[3x6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]Si[3x6]){1|H<1>,2|O<2>,3|C<3>,3|N<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2){1|H<1>,3|C<4>,7|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){1|Si<6>,1|C<4>,2|H<1>,4|C<3>}	122.5657	0.687	3	122.5657	0.473	3	122.5657	0.473	3	122.5657	0.473	3	120.5302	1.213	171	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	122.0925	0.064	2	122.0925	0.004	2	122.0925	0.004	2	121.9166	0.754	12	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	120.6330	0.102	2	120.9032	0.189	4	120.9032	0.189	4	121.9166	0.754	12	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	121.1735	0.515	2	120.9032	0.189	4	120.9032	0.189	4	121.9166	0.754	12	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	122.8130	0.294	4	122.8130	0.087	4	122.8130	0.087	4	121.9166	0.754	12	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	121.9745	0.268	2	121.9745	0.072	2	121.9745	0.072	2	121.9166	0.754	12	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|Cl<1>,3|C<3>}	123.0580	0.000	1	122.8730	0.068	2	122.8730	0.068	2	122.8730	0.068	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|C<4>,3|C<3>}	122.6880	0.000	1	122.8730	0.068	2	122.8730	0.068	2	122.8730	0.068	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){4|C<3>}	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	125.0534	4.684	7	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:O[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6]){1|O<2>,1|O<3>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|H<1>}	125.6915	0.241	4	125.8637	0.106	6	125.8637	0.106	6	125.0534	4.684	7	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:O[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6]){2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|H<1>}	126.2080	0.011	2	125.8637	0.106	6	125.8637	0.106	6	125.0534	4.684	7	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	122.2193	0.084	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH){4|C<3>}	122.3835	0.081	2	122.3835	0.007	2	122.3835	0.007	2	122.2193	0.084	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	123.2220	0.215	2	123.2220	0.046	2	123.2220	0.046	2	122.7556	0.526	5	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	123.3640	0.000	1	123.3640	0.000	1	122.4447	0.666	3	122.7556	0.526	5	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|S<2>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	121.9850	0.252	2	121.9850	0.063	2	122.4447	0.666	3	122.7556	0.526	5	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	122.8137	0.050	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	4:3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	123.0360	0.000	1	123.0360	0.000	1	123.0360	0.000	1	122.8137	0.050	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:3:	4:3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	122.8137	0.050	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:2:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|S<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|N<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S){1|C<4>,1|S<2>,2|C<3>}	120.5600	0.588	2	120.5600	0.346	2	120.5600	0.346	2	120.5600	0.346	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]N[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH){1|N<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]N[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	122.6390	0.000	1	122.6390	0.000	1	122.6390	0.000	1	121.7740	0.210	6	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.9000	0.000	1	121.9000	0.000	1	121.6010	0.038	5	121.7740	0.210	6	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	121.5400	0.000	1	121.5263	0.014	4	121.6010	0.038	5	121.7740	0.210	6	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	121.6150	0.000	1	121.5263	0.014	4	121.6010	0.038	5	121.7740	0.210	6	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	121.5950	0.000	1	121.5263	0.014	4	121.6010	0.038	5	121.7740	0.210	6	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	121.3550	0.000	1	121.5263	0.014	4	121.6010	0.038	5	121.7740	0.210	6	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	124.9640	19.225	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:2:	3:4:	3:3:4:	C[6,6a]-3:O[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	127.4955	0.006	2	127.4955	0.000	2	127.4955	0.000	2	124.9640	19.225	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C)	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	119.1700	0.000	1	119.1700	0.000	1	122.7810	2.527	8	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a]){2|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.5245	0.730	2	123.5245	0.534	2	122.7810	2.527	8	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.7633	0.076	3	123.1800	0.698	4	122.7810	2.527	8	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.4300	0.000	1	123.1800	0.698	4	122.7810	2.527	8	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.3090	0.000	1	123.3090	0.000	1	122.7810	2.527	8	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H)	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	124.5850	0.000	1	124.5850	0.000	1	124.5850	0.000	1	122.7104	2.471	11	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H)	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	122.1924	0.510	10	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	122.4920	0.000	1	122.4133	0.024	9	122.4133	0.024	9	122.1924	0.510	10	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	4:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.4035	0.164	8	122.4133	0.024	9	122.4133	0.024	9	122.1924	0.510	10	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	O[6](Ga[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](Ga[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	121.6090	0.509	2	121.6090	0.259	2	122.3270	1.343	6	122.9378	2.434	13	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	O[6](Ga[5,6,6]N[5,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	O[6](Ga[5,6,6]N[5,6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,1|H<1>,2|C<4>}	123.7740	0.359	2	123.7740	0.129	2	122.3270	1.343	6	122.9378	2.434	13	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	O[6](Ga[5,6,6]N[5,6]2O[6]P)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|P<2>,2|N<3>,3|H<1>}	O[6](Ga[5,6,6]N[5,6]2O[6]P)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	121.5980	0.214	2	121.5980	0.046	2	122.3270	1.343	6	122.9378	2.434	13	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,6]2O[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	O[6](In[5,6,6]N[5,6]2O[6]C)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|O<2>,2|C<4>}	121.9365	0.653	2	121.9365	0.426	2	123.9528	3.522	5	122.9378	2.434	13	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<5>,1|C<3>,3|C<4>}	125.2970	0.235	3	125.2970	0.055	3	123.9528	3.522	5	122.9378	2.434	13	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	122.2330	0.151	2	122.2330	0.023	2	122.2330	0.023	2	122.9378	2.434	13	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](In[5,6,6]N[5,5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<3>,7|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	119.4525	0.152	2	119.4525	0.023	2	119.7340	0.234	4	119.7340	0.234	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<3>,7|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	120.0155	0.602	2	120.0155	0.362	2	119.7340	0.234	4	119.7340	0.234	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-5:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	119.5410	0.000	1	119.9525	0.339	2	119.9525	0.339	2	119.9525	0.339	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	5:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-5:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	120.3640	0.000	1	119.9525	0.339	2	119.9525	0.339	2	119.9525	0.339	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[3x5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[3x5,6,6])(C[6a]C[6a]H)	O[6](In[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<3>,2|N<4>,3|H<1>}	O[6](In[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6,6a]C[6,6a]C[6a]){3|H<1>,5|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Cl<1>,1|In<6>,1|C<3>,1|C<4>,1|H<1>}	125.5890	2.973	2	125.5890	8.837	2	125.5890	8.837	2	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	O[6](In[5,5,6,6]N[5,6]2O[6]S[5]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|N<3>,2|S<2>,3|H<1>}	O[6](In[5,5,6,6]N[5,6]2O[6]S[5]2)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,1|N<2>,2|C<4>}	124.6915	1.057	2	124.6915	1.118	2	124.1837	1.257	6	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a]){4|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,3|C<4>}	123.1890	0.263	2	123.1890	0.069	2	124.1837	1.257	6	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]Si)	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]Si){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](In[5,5,6,6]N[5,6]3O[5]O[6])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,3|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|Si<4>,1|C<3>,2|C<4>}	124.6705	1.459	2	124.6705	2.128	2	124.1837	1.257	6	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,2|H<1>,4|C<3>}	122.5510	0.000	1	122.5510	0.000	1	122.3173	0.205	12	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Si<6>,2|C<3>,2|H<1>}	122.4450	0.000	1	122.4450	0.000	1	122.3173	0.205	12	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	123.1105	0.284	2	123.1105	0.080	2	122.3173	0.205	12	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>,2|N<3>,2|O<2>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	122.1508	0.191	4	122.1508	0.037	4	122.3173	0.205	12	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>,4|N<3>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	121.9968	0.267	4	121.9968	0.071	4	122.3173	0.205	12	123.2044	2.313	20	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[3x5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H)	O[6](Ga[3x5,6,6]N[3x5]N[5,6]3O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|N<4>,4|H<1>}	O[6](Ga[3x5,6,6]N[3x5]N[5,6]3O[6])(C[6,6a]C[6,6a]C[6a]){3|H<1>,5|C<3>,7|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,3|H<1>}	123.1260	0.755	4	123.1260	0.570	4	123.1260	0.570	4	123.3989	0.406	8	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[4x5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H)	O[6](Ga[4x5,6,6]N[5,5,6]2N[5,5]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,4|N<4>}	O[6](Ga[4x5,6,6]N[5,5,6]2N[5,5]2O[6])(C[6,6a]C[6,6a]C[6a]){10|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,2|C<4>,2|H<1>}	123.7115	0.193	2	123.7115	0.037	2	123.7115	0.037	2	123.3989	0.406	8	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Ga[5,5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S)	O[6](Ga[5,5,6,6]N[5,6]4O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S){1|C<3>,1|O<2>,2|H<1>,2|O<1>,4|N<3>}	O[6](Ga[5,5,6,6]N[5,6]4O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|S<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|S<4>,2|C<4>}	123.6320	0.700	2	123.6320	0.490	2	123.6320	0.490	2	123.3989	0.406	8	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	6:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	In[5,5,6,6]-6:C[6,6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	O[6](In[5,5,6,6]N[5,6]2O[5]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](P[6]N[5,6]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>,3|O<2>}	O[6](In[5,5,6,6]N[5,6]2O[5]2O[6])(C[6,6a]C[6,6a]C[6a]){2|P<4>,4|C<3>,4|C<4>}	C[6,6a](P[6]N[5,6]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|In<6>,3|C<3>,3|C<4>}	123.0810	0.649	2	123.0810	0.421	2	123.0810	0.421	2	123.0810	0.421	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	7:3:	3:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,4,4,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,4,4,6])(C[6a]C[6a]H)	O[6](Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]OO)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,4,4,6])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|N<3>,3|H<1>,4|O<2>}	O[6](Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]OO)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,4|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|O<2>,2|H<1>}	121.1095	0.015	2	121.1095	0.000	2	121.1095	0.000	2	121.1095	0.000	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	7:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,5,6,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]C)	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|O<2>,2|N<4>,3|C<3>,4|H<1>}	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<3>,9|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	120.0870	0.554	2	120.0870	0.307	2	119.7037	0.302	6	119.6326	0.287	7	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	7:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,5,6,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]H)	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|N<4>,3|C<3>,4|H<1>}	O[6](Nb[3,5,6,6]N[5,6,6]C[3]2N[5]O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<3>,8|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,2|C<4>,2|H<1>}	119.5120	0.503	4	119.5120	0.253	4	119.7037	0.302	6	119.6326	0.287	7	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:2:3:	7:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:	Nb[3,5,6]-7:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6])(C[6a]C[6a]C)	O[6](Nb[3,5,6]N[5,6]C[3]2N[5]Cl2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6])(C[6a]C[6a]C){2|Cl<1>,2|N<4>,3|C<3>,4|H<1>}	O[6](Nb[3,5,6]N[5,6]C[3]2N[5]Cl2)(C[6,6a]C[6,6a]C[6a]){2|C<3>,9|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	119.6326	0.287	7	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){2|H<1>,3|C<3>}	123.2540	0.000	1	123.3165	0.008	2	123.3165	0.008	2	123.3165	0.008	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|Cl<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	123.3790	0.000	1	123.3165	0.008	2	123.3165	0.008	2	123.3165	0.008	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|O<2>,5|C<3>}	122.2165	0.354	2	122.2165	0.126	2	122.2165	0.126	2	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	122.8270	0.117	2	122.8270	0.014	2	122.8270	0.014	2	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){1|F<1>,1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){1|F<1>,1|H<1>,3|C<3>}	123.3760	0.000	1	123.5158	0.031	5	123.5158	0.031	5	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	123.6327	0.095	3	123.5158	0.031	5	123.5158	0.031	5	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|O<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	123.3050	0.000	1	123.5158	0.031	5	123.5158	0.031	5	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	119.1680	0.000	1	119.1680	0.000	1	119.6236	0.813	7	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	118.5600	0.000	1	118.5600	0.000	1	119.6236	0.813	7	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<4>,3|C<3>}	118.7730	0.000	1	118.7730	0.000	1	119.6236	0.813	7	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	119.6510	0.298	2	120.2160	0.470	4	119.6236	0.813	7	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	120.7810	0.209	2	120.2160	0.470	4	119.6236	0.813	7	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.0495	0.619	2	122.0495	0.383	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|S<2>,3|C<3>}	122.4410	0.000	1	122.6595	0.095	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|S<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<3>,3|C<3>}	122.8780	0.000	1	122.6595	0.095	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	120.9630	0.280	2	120.9630	0.078	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	121.9695	0.438	2	121.9695	0.192	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	122.1175	0.155	2	122.1175	0.024	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	122.1125	0.240	2	122.1125	0.057	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<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)(O[6]C[6,6a]){2|H<1>,3|C<3>}	121.9945	0.063	2	121.9945	0.004	2	121.9809	0.301	14	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	122.3790	0.000	1	122.7672	0.524	10	122.3637	1.355	24	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	123.0817	0.646	3	122.7672	0.524	10	122.3637	1.355	24	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	122.6747	0.823	6	122.7672	0.524	10	122.3637	1.355	24	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|P<3>,3|C<3>}	121.4435	0.466	2	121.4435	0.217	2	122.3637	1.355	24	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	121.2013	0.477	4	122.1808	2.046	12	122.3637	1.355	24	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	122.6705	1.515	8	122.1808	2.046	12	122.3637	1.355	24	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	121.3795	0.487	2	121.3795	0.237	2	121.3795	0.237	2	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]){2|H<1>,5|C<3>}	118.8540	0.000	1	118.8540	0.000	1	118.8540	0.000	1	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	120.7885	0.459	2	120.7885	0.211	2	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	121.5940	0.000	1	121.6023	0.319	3	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){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)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>}	121.0420	0.000	1	121.6023	0.319	3	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	122.1710	0.000	1	121.6023	0.319	3	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	121.3530	0.000	1	121.3530	0.000	1	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	122.7397	0.251	3	122.7397	0.063	3	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.7210	0.000	1	121.8220	0.020	2	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	121.9230	0.000	1	121.8220	0.020	2	121.7818	0.600	11	121.8898	1.673	70	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]2)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)2{2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	120.5250	0.197	2	120.5250	0.039	2	120.5250	0.039	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	123.0190	0.000	1	123.0190	0.000	1	123.0190	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|S<1>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.0225	0.323	4	119.0225	0.104	4	119.0225	0.104	4	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3030	0.000	1	120.3030	0.000	1	121.6360	1.973	3	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.6360	1.973	3	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.1030	0.000	1	123.1030	0.000	1	121.6360	1.973	3	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	119.7600	0.000	1	119.9890	0.105	2	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	120.2180	0.000	1	119.9890	0.105	2	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<2>,5|C<3>}	120.3060	0.365	2	120.5537	0.251	3	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	121.0490	0.000	1	120.5537	0.251	3	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	119.9660	0.509	2	119.9660	0.259	2	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8626	0.488	8	120.8626	0.239	8	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|P<3>,3|C<3>}	121.6063	0.553	4	121.8577	0.443	6	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3605	0.732	2	121.8577	0.443	6	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.8855	1.238	4	121.1489	1.082	16	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.1650	1.211	6	121.1489	1.082	16	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.4840	0.634	2	121.1489	1.082	16	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	120.9840	0.000	1	121.1489	1.082	16	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6327	0.098	3	121.1489	1.082	16	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	121.9030	0.438	2	120.8381	0.221	23	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.9247	0.117	3	120.8381	0.221	23	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6052	0.214	13	120.8381	0.221	23	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.6840	0.458	3	120.8381	0.221	23	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3885	0.006	2	120.8381	0.221	23	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5260	0.117	2	120.5260	0.014	2	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7165	0.469	2	121.7165	0.220	2	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Pd)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6592	0.548	6	120.6592	0.301	6	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.9363	0.149	4	119.9363	0.022	4	120.8846	0.598	74	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	123.4530	0.000	1	123.4530	0.000	1	123.4530	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	120.5515	1.464	4	120.5515	2.144	4	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Am)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Am<9>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Am)(C[6a]C[6a]O){2|C<4>,3|C<3>}	117.7055	0.357	6	117.7055	0.128	6	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Co)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Co<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Co)(C[6a]C[6a]O){2|C<4>,3|C<3>}	117.6665	0.248	2	117.6665	0.062	2	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cr)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cr<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cr)(C[6a]C[6a]O){2|C<4>,3|C<3>}	118.0083	0.654	4	118.0083	0.428	4	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<5>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H){2|C<4>,3|C<3>}	119.0180	0.000	1	119.0180	0.000	1	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]O){2|C<4>,3|C<3>}	117.3055	0.448	2	117.3055	0.200	2	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|F<1>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<2>,1|O<2>,3|C<3>}	122.1750	0.000	1	122.1750	0.000	1	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	119.2440	0.000	1	119.2440	0.000	1	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Mn)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Mn)(C[6a]C[6a]O){2|C<4>,3|C<3>}	117.6170	0.276	2	117.6170	0.076	2	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Mo)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mo<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Mo)(C[6a]C[6a]O){2|C<4>,3|C<3>}	118.7555	0.634	4	118.7555	0.402	4	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Ni)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Ni)(C[6a]C[6a]O){2|C<4>,3|C<3>}	117.6285	0.476	2	117.6285	0.226	2	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1360	0.526	4	120.1360	0.277	4	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8485	0.183	2	121.0538	0.740	10	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1955	1.112	6	121.0538	0.740	10	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8340	0.387	2	121.0538	0.740	10	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9870	0.296	2	121.9870	0.087	2	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	119.5610	0.260	2	119.5610	0.068	2	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8430	0.000	1	121.5011	0.457	123	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	121.5814	0.718	16	121.5011	0.457	123	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4952	0.673	106	121.5011	0.457	123	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<5>,1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.3700	0.000	1	120.3700	0.000	1	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.2570	0.000	1	120.2570	0.000	1	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1450	0.000	1	121.1450	0.000	1	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	121.1270	0.363	2	119.4366	1.620	8	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	118.8732	0.847	6	119.4366	1.620	8	120.8423	2.035	181	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	125.1788	0.202	4	124.9891	0.293	8	124.9891	0.293	8	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.7995	0.739	4	124.9891	0.293	8	124.9891	0.293	8	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1155	0.673	4	123.7497	1.237	6	123.7839	0.756	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.0180	0.021	2	123.7497	1.237	6	123.7839	0.756	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0745	0.595	2	123.0745	0.354	2	123.7839	0.756	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	124.1900	0.182	4	124.1900	0.033	4	123.7839	0.756	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	120.8175	0.194	2	120.8175	0.038	2	120.2415	0.814	4	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	119.6655	1.037	2	119.6655	1.076	2	120.2415	0.814	4	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.7417	1.021	8	121.7417	1.042	8	121.8460	1.010	9	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.6800	0.000	1	122.6800	0.000	1	121.8460	1.010	9	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	123.0340	0.000	1	123.0340	0.000	1	122.6470	0.300	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	122.2600	0.000	1	122.2600	0.000	1	122.6470	0.300	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[5a])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	121.4600	0.000	1	121.4600	0.000	1	122.2665	1.301	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.0730	0.000	1	123.0730	0.000	1	122.2665	1.301	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.7420	0.000	1	119.7420	0.000	1	121.5042	1.573	10	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.4280	0.000	1	123.4280	0.000	1	121.5042	1.573	10	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	122.8605	0.111	2	122.8605	0.012	2	121.5042	1.573	10	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	121.8790	0.000	1	121.8790	0.000	1	121.5042	1.573	10	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	121.2080	0.000	1	121.2080	0.000	1	121.5042	1.573	10	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.7660	0.645	4	120.7660	0.417	4	121.5042	1.573	10	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	122.4380	0.000	1	122.4380	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	122.0690	0.000	1	121.4878	0.202	6	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	120.8620	0.000	1	121.4878	0.202	6	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,2|C<3>,2|H<1>}	121.3385	0.401	2	121.4878	0.202	6	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	121.7510	0.000	1	121.4878	0.202	6	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	121.5680	0.000	1	121.4878	0.202	6	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){2|C<3>,3|H<1>}	121.7960	0.000	1	121.7960	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){2|C<3>,2|H<1>}	123.3220	0.000	1	123.3220	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>}	120.8650	0.000	1	120.6542	0.473	12	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.5020	0.528	2	120.6542	0.473	12	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	120.8459	0.593	8	120.6542	0.473	12	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	119.2140	0.000	1	120.6542	0.473	12	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	121.3430	0.000	1	121.3430	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	121.4150	0.000	1	121.4150	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	120.1230	0.204	3	119.8738	0.276	4	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	119.1260	0.000	1	119.8738	0.276	4	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	123.2920	0.000	1	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	123.0100	0.000	1	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	122.3770	0.000	1	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	120.4600	0.000	1	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	122.1065	1.367	2	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>}	122.6610	0.000	1	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|H<1>,3|C<3>}	121.7170	0.000	1	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>}	122.0498	0.388	15	122.1077	0.431	23	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Ru<8>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	119.6590	0.000	1	119.6590	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	121.3100	0.000	1	121.3100	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	119.9490	0.000	1	120.5770	0.239	4	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	120.9645	0.037	2	120.5770	0.239	4	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	120.4300	0.000	1	120.5770	0.239	4	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	120.4770	0.044	2	121.1611	0.963	7	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	120.8040	0.000	1	121.1611	0.963	7	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	120.2280	0.000	1	121.1611	0.963	7	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	121.0670	0.000	1	121.1611	0.963	7	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	122.6840	0.000	1	121.1611	0.963	7	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	122.3910	0.000	1	121.1611	0.963	7	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	122.0829	0.386	8	121.9836	0.219	9	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|H<1>}	121.1890	0.000	1	121.9836	0.219	9	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|S<4>,2|C<3>,2|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,2|H<1>}	120.1460	0.274	4	120.1460	0.075	4	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	121.1620	0.000	1	121.1620	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	121.5710	0.000	1	121.5710	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.3360	0.000	1	121.3360	0.000	1	121.3860	0.928	80	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	121.7450	0.000	1	121.1257	0.514	3	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	120.8160	0.673	2	121.1257	0.514	3	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){2|H<1>,4|C<3>}	119.0140	0.000	1	119.0140	0.000	1	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|P<4>,2|C<3>,3|H<1>}	120.2940	0.000	1	120.5440	0.360	3	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	120.6690	0.792	2	120.5440	0.360	3	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	119.8070	0.000	1	120.1868	0.388	4	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	119.5090	0.000	1	120.1868	0.388	4	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	120.6830	0.000	1	120.1868	0.388	4	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	120.7480	0.000	1	120.1868	0.388	4	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,4|H<1>}	123.9330	0.000	1	123.9330	0.000	1	120.7253	1.625	12	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	122.8120	0.000	1	122.8120	0.000	1	122.1775	0.805	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|H<1>,5|C<3>}	121.5430	0.000	1	121.5430	0.000	1	122.1775	0.805	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.4060	0.000	1	122.3115	0.018	2	122.3115	0.018	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.2170	0.000	1	122.3115	0.018	2	122.3115	0.018	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[3x6]O[6])	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[3x6]O[6]){1|C<4>,5|C<3>}	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	117.2235	0.062	2	117.2235	0.004	2	117.2235	0.004	2	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	121.6240	0.000	1	121.6240	0.000	1	121.6240	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]P[6]){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|H<1>,1|P<3>,2|C<3>}	119.6630	0.000	1	119.6630	0.000	1	120.1937	0.866	3	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|C<4>}	119.6500	0.000	1	119.6500	0.000	1	120.1937	0.866	3	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|H<1>}	121.2680	0.000	1	121.2680	0.000	1	120.1937	0.866	3	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]Cl){1|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]O[6]O){1|P<3>,2|H<1>,3|C<3>}	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O){6|C<3>}	121.1575	0.220	4	121.1575	0.049	4	121.1575	0.049	4	121.1670	2.058	423	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	120.9050	0.476	3	120.9050	0.226	3	120.9050	0.226	3	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	121.6130	0.000	1	121.6130	0.000	1	121.4755	0.038	2	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	121.3380	0.000	1	121.3380	0.000	1	121.4755	0.038	2	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){3|C<4>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.1970	0.618	2	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	120.6410	0.000	1	120.6410	0.000	1	121.1970	0.618	2	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	123.4965	0.087	2	123.4965	0.008	2	124.2106	0.448	5	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC){2|H<1>,5|C<3>}	124.6867	0.206	3	124.6867	0.042	3	124.2106	0.448	5	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.9690	0.000	1	120.9690	0.000	1	120.3760	0.304	3	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	120.2800	0.000	1	120.2800	0.000	1	120.3760	0.304	3	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	119.8790	0.000	1	119.8790	0.000	1	120.3760	0.304	3	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	122.6590	0.242	2	122.6590	0.058	2	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	120.5170	0.000	1	120.5170	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	121.1730	0.000	1	121.1730	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Br<1>,1|C<2>,2|C<3>}	122.6370	0.000	1	122.6370	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2880	0.000	1	120.2880	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6702	0.308	4	121.6702	0.095	4	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3810	0.000	1	121.3810	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5990	0.000	1	121.5990	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7530	0.000	1	120.7530	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7490	0.000	1	120.7490	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Cl<1>,1|N<3>,2|C<3>}	123.0180	0.000	1	123.0180	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>}	122.6250	0.000	1	122.6250	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	122.1795	0.842	2	122.1937	0.343	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	122.8410	0.000	1	122.1937	0.343	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|H<1>,3|C<3>}	122.5830	0.000	1	122.1937	0.343	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	122.3910	0.000	1	122.1937	0.343	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	121.5910	0.110	2	122.1937	0.343	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|H<1>,3|C<3>}	122.6790	0.000	1	122.6790	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	123.2180	0.000	1	122.7903	0.093	4	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	122.6560	0.000	1	122.7903	0.093	4	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	122.6435	0.183	2	122.7903	0.093	4	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	123.1090	0.000	1	123.1090	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	121.4050	0.000	1	122.0483	0.322	3	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	122.3700	0.151	2	122.0483	0.322	3	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	121.3510	0.940	2	121.8080	0.434	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,2|H<1>}	121.8570	0.000	1	121.8080	0.434	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.0740	0.000	1	121.8080	0.434	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	122.4070	0.000	1	121.8080	0.434	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,2|C<3>,2|H<1>}	122.0930	0.000	1	122.0930	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4870	0.000	1	122.2650	0.099	2	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|N<3>,2|C<3>,2|H<1>}	122.0430	0.000	1	122.2650	0.099	2	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	121.2640	0.000	1	121.5004	0.274	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.8390	0.000	1	121.5004	0.274	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	121.1023	0.381	3	121.5004	0.274	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	122.0465	0.332	2	121.5004	0.274	7	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,2|H<1>,3|C<3>}	120.7580	0.372	2	121.6003	2.198	3	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,4|H<1>}	123.2850	0.000	1	121.6003	2.198	3	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,3|H<1>}	121.7080	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,3|H<1>}	122.4360	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,4|H<1>}	121.7360	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	120.6680	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6270	0.406	2	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	120.4510	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.5172	0.784	8	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	121.5041	0.632	10	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|C<3>,3|H<1>}	121.7930	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	121.3830	0.000	1	121.5040	0.422	27	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	120.5925	1.097	2	121.1460	0.564	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	121.3760	0.000	1	121.1460	0.564	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.6300	0.000	1	121.1460	0.564	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	121.5390	0.000	1	121.1460	0.564	5	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2965	0.384	2	121.5387	0.250	3	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	122.0230	0.000	1	121.5387	0.250	3	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	121.0730	0.000	1	120.8700	0.082	2	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|H<1>,3|C<3>}	120.6670	0.000	1	120.8700	0.082	2	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|I<1>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	121.3350	0.000	1	121.3350	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	121.8970	0.000	1	121.8970	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|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>,2|H<1>}	121.3390	0.000	1	121.3390	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|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>}	121.8910	0.000	1	121.8910	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|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>}	119.7941	0.702	11	120.0818	0.707	14	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	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>}	121.1710	0.000	1	120.0818	0.707	14	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	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>}	121.1195	0.129	2	120.0818	0.707	14	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2760	0.000	1	121.2760	0.000	1	121.4880	0.881	106	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	122.2480	0.000	1	122.2480	0.000	1	122.2480	0.000	1	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	120.7910	0.000	1	120.7910	0.000	1	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	123.2270	0.000	1	123.2270	0.000	1	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	123.6975	1.463	4	123.6975	2.141	4	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	123.2777	0.330	7	122.7754	0.331	14	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	122.2730	0.143	7	122.7754	0.331	14	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|P<4>,3|H<1>,6|C<3>}	121.9620	0.000	1	121.9615	0.000	2	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){4|H<1>,6|C<3>}	121.9610	0.000	1	121.9615	0.000	2	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){3|H<1>,4|C<3>}	124.3800	0.000	1	124.3800	0.000	1	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	124.5450	0.132	2	124.5450	0.017	2	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0600	0.000	1	121.0600	0.000	1	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	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>}	122.3285	0.465	2	122.3285	0.216	2	122.8848	1.173	28	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	122.4710	0.000	1	122.6525	0.066	2	122.6525	0.066	2	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|N<2>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	122.8340	0.000	1	122.6525	0.066	2	122.6525	0.066	2	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	123.4960	0.000	1	123.4335	0.008	2	122.8533	0.688	4	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	123.3710	0.000	1	123.4335	0.008	2	122.8533	0.688	4	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){4|C<3>}	122.8690	0.000	1	122.8690	0.000	1	122.8533	0.688	4	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	121.6770	0.000	1	121.6770	0.000	1	122.8533	0.688	4	121.8416	1.459	158	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|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>}	123.2090	0.000	1	123.2090	0.000	1	123.2090	0.000	1	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.4260	0.000	1	125.4260	0.000	1	123.9950	4.096	2	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|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>}	122.5640	0.000	1	122.5640	0.000	1	123.9950	4.096	2	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	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>}	123.0560	0.000	1	123.0560	0.000	1	122.8925	0.053	2	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7290	0.000	1	122.7290	0.000	1	122.8925	0.053	2	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2330	0.000	1	122.2330	0.000	1	122.2968	0.469	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	121.2850	0.000	1	122.0265	0.246	4	122.2968	0.469	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	122.2110	0.000	1	122.0265	0.246	4	122.2968	0.469	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.2900	0.000	1	122.0265	0.246	4	122.2968	0.469	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3200	0.000	1	122.0265	0.246	4	122.2968	0.469	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	123.4420	0.000	1	123.4420	0.000	1	122.2968	0.469	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	122.6713	0.482	7	122.6713	0.232	7	122.6713	0.232	7	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.6070	0.021	2	122.6070	0.000	2	122.7807	0.067	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	122.9545	0.281	2	122.9545	0.079	2	122.7807	0.067	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	122.0910	0.000	1	122.0910	0.000	1	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.6360	0.000	1	121.0599	1.636	27	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	122.4181	0.540	8	121.0599	1.636	27	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.4243	1.033	18	121.0599	1.636	27	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	120.3588	0.912	4	119.4947	1.029	15	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	119.4410	0.000	1	119.4947	1.029	15	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	119.2540	0.000	1	119.4947	1.029	15	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	119.1433	0.985	9	119.4947	1.029	15	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Bi<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Bi<3>,1|H<1>,3|C<3>}	120.5840	0.204	2	120.5840	0.041	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	123.5975	1.111	2	122.4736	0.689	40	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	122.3989	0.546	10	122.4736	0.689	40	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.3558	0.925	16	122.4736	0.689	40	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	123.6960	0.461	2	122.4736	0.689	40	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.2742	0.555	6	122.4736	0.689	40	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	122.2575	0.848	4	122.4736	0.689	40	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	123.2880	0.584	3	123.2620	0.230	4	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.1840	0.000	1	123.2620	0.230	4	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8250	0.000	1	122.8250	0.000	1	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6375	0.168	2	122.6375	0.028	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2670	0.096	2	122.6580	0.321	6	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1640	0.158	3	122.6580	0.321	6	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<3>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9220	0.000	1	122.6580	0.321	6	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.0985	0.456	2	122.0985	0.208	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5718	0.780	4	122.2147	0.521	12	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5361	0.452	8	122.2147	0.521	12	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	122.9670	0.349	2	122.4838	0.377	4	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	122.0005	0.275	2	122.4838	0.377	4	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	123.0490	0.000	1	123.0490	0.000	1	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.6720	0.000	1	122.9493	0.394	3	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.6340	0.000	1	122.9493	0.394	3	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5420	0.000	1	122.9493	0.394	3	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7880	0.264	2	120.7880	0.070	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.1500	0.000	1	123.1500	0.000	1	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	123.0895	0.087	2	122.6726	1.116	18	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	123.2170	0.020	2	122.6726	1.116	18	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	122.3747	1.189	12	122.6726	1.116	18	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	123.4985	0.203	2	122.6726	1.116	18	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	122.8065	0.660	2	122.8065	0.435	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	122.9010	0.000	1	122.9010	0.000	1	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	120.5952	1.293	4	120.2647	1.402	155	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	122.2470	0.000	1	120.2647	1.402	155	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	120.4850	0.000	1	120.2647	1.402	155	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	121.4164	0.967	9	120.2647	1.402	155	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	121.1803	0.257	4	120.2647	1.402	155	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	120.1357	1.159	136	120.2647	1.402	155	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|P<3>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	120.7640	0.000	1	121.3105	0.597	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|P<3>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	121.8570	0.000	1	121.3105	0.597	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a]){1|Cu<4>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	119.6845	0.754	2	119.6845	0.569	2	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	119.7770	1.264	24	119.7770	1.598	24	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	121.1730	0.533	2	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	119.2080	0.548	6	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	121.4720	1.259	2	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ni<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	118.4105	0.059	2	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	120.6807	1.080	6	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	117.3350	0.000	1	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<3>,1|H<1>,3|C<3>}	121.7145	0.193	2	120.1051	2.034	21	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	119.2650	0.000	1	119.2650	0.000	1	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<2>,1|Sn<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	118.6410	0.000	1	120.2381	4.807	8	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<2>,1|Sn<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	118.2590	0.000	1	120.2381	4.807	8	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<3>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	122.4500	0.000	1	120.2381	4.807	8	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Sn<2>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	121.3430	0.000	1	120.2381	4.807	8	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Sn<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	118.0230	0.506	2	120.2381	4.807	8	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{2|Sn<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<4>,1|H<1>,3|C<3>}	122.5830	0.023	2	120.2381	4.807	8	120.8833	2.423	357	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	125.2640	0.000	2	125.2640	0.000	2	125.2892	0.053	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|C<4>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	125.5150	0.000	2	125.5150	0.000	2	125.2892	0.053	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.0885	0.289	2	125.0885	0.084	2	125.2892	0.053	6	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(Si[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(Si[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	125.4680	0.177	4	125.4680	0.031	4	125.4680	0.031	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	121.4922	0.365	4	121.4922	0.133	4	121.4922	0.133	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	124.3890	0.000	1	124.3890	0.000	1	124.2621	0.222	7	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	123.8597	0.149	3	124.2410	0.262	6	124.2621	0.222	7	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	124.6223	0.444	3	124.2410	0.262	6	124.2621	0.222	7	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	122.6830	0.000	1	122.6830	0.000	1	122.9536	0.500	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	122.7215	0.259	6	122.7215	0.067	6	122.9536	0.500	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	124.6170	0.000	1	124.6170	0.000	1	122.9536	0.500	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.2555	0.005	2	123.0391	0.489	14	123.0391	0.489	14	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	123.1672	1.001	6	123.0391	0.489	14	123.0391	0.489	14	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.7725	0.457	4	123.0391	0.489	14	123.0391	0.489	14	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.9720	0.479	2	123.0391	0.489	14	123.0391	0.489	14	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	123.0210	0.000	1	123.0256	0.047	8	123.0256	0.047	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	122.9230	0.061	2	123.0256	0.047	8	123.0256	0.047	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	122.9720	0.000	1	123.0256	0.047	8	123.0256	0.047	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	123.0567	0.366	3	123.0256	0.047	8	123.0256	0.047	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	123.1960	0.000	1	123.0256	0.047	8	123.0256	0.047	8	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	122.5923	0.202	6	122.4094	0.193	9	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,4|C<3>}	122.0437	0.606	3	122.4094	0.193	9	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	121.9980	0.000	1	121.9980	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	121.2680	0.877	2	121.2370	0.472	5	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	120.8745	0.644	2	121.2370	0.472	5	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.9000	0.000	1	121.2370	0.472	5	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<4>,4|C<3>}	120.7410	0.000	1	120.7410	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|N<2>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	121.0800	0.000	1	121.0800	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	120.9470	0.000	1	120.9470	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.2710	0.000	1	121.2710	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	119.9120	0.000	1	120.1626	0.216	5	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	120.2253	0.512	4	120.1626	0.216	5	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.4410	0.000	1	121.3835	1.777	2	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.3260	0.000	1	121.3835	1.777	2	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	122.9920	0.000	1	122.6245	0.087	4	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.4000	0.137	2	122.6245	0.087	4	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.7060	0.000	1	122.6245	0.087	4	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.7850	0.000	1	121.7850	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	121.5260	0.000	1	121.5260	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	122.7700	0.000	1	122.7700	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.9655	0.049	2	122.1936	0.173	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.7210	0.000	1	122.1936	0.173	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	123.0290	0.000	1	122.1936	0.173	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	122.2440	0.000	1	122.1936	0.173	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	122.0345	0.047	2	122.1936	0.173	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	122.5550	0.000	1	122.1936	0.173	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	122.2480	0.000	1	122.2480	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	122.5798	0.277	4	122.2742	0.159	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	122.1630	0.000	1	122.2742	0.159	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	121.8570	0.272	2	122.2742	0.159	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9980	0.000	1	122.2742	0.159	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	123.1810	0.000	1	123.1810	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,1|H<1>,4|C<3>}	122.4630	0.000	1	122.4630	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	121.0160	0.000	1	121.0160	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.6100	0.000	1	121.6100	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|N<3>,3|H<1>,4|C<3>}	121.5190	0.000	1	121.3690	0.045	2	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){4|C<3>,4|H<1>}	121.2190	0.000	1	121.3690	0.045	2	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.1650	0.000	1	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.0050	0.000	1	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9100	0.000	1	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.4750	0.305	2	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.0490	0.000	1	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.3940	0.000	1	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	121.5380	0.000	1	121.3764	0.175	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){4|C<3>,4|H<1>}	121.2940	0.000	1	121.0272	0.088	6	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	121.1740	0.102	2	121.0272	0.088	6	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.2090	0.000	1	121.0272	0.088	6	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	120.6560	0.065	2	121.0272	0.088	6	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8650	0.000	1	122.8650	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8700	0.000	1	122.8700	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,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|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.0180	0.308	3	121.0616	0.331	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	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>}	120.4730	0.000	1	121.0616	0.331	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	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>}	121.2415	0.741	4	121.0616	0.331	8	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	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>}	120.5780	1.475	2	120.5780	2.176	2	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,1|S<4>,2|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>}	120.9810	0.000	1	120.9810	0.000	1	121.6458	0.731	83	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ge[4,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2){1|Ge<3>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){1|Br<1>,2|Ge<3>,1|C<3>,1|H<1>}	121.3400	0.000	1	121.6350	0.174	2	121.6350	0.174	2	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ge[4,6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2){1|Ge<3>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|C<4>,1|H<1>}	121.9300	0.000	1	121.6350	0.174	2	121.6350	0.174	2	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){4|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.5370	0.000	1	123.5370	0.000	1	122.1707	1.542	3	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O){4|C<3>}	121.4875	0.532	2	121.4875	0.284	2	122.1707	1.542	3	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	123.5930	0.000	1	123.5930	0.000	1	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,5|C<3>}	123.6760	0.715	4	123.6760	0.511	4	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|S<2>,5|C<3>}	122.7005	0.120	2	122.7005	0.014	2	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	122.7180	0.000	1	122.2769	2.204	15	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	122.7090	0.307	3	122.2769	2.204	15	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	123.2055	0.036	2	122.2769	2.204	15	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	121.7676	2.096	7	122.2769	2.204	15	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,6|C<3>}	122.2620	0.117	2	122.2769	2.204	15	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	123.2938	0.603	4	122.9970	0.174	12	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	122.7655	0.202	4	122.9970	0.174	12	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){6|C<3>}	122.9317	0.194	4	122.9970	0.174	12	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	122.3180	0.000	1	122.3180	0.000	1	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	123.5150	0.000	1	123.5150	0.000	1	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	123.6060	0.000	1	123.6060	0.000	1	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|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>}	122.6560	0.000	1	122.6560	0.000	1	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	123.1100	0.332	2	123.1100	0.110	2	122.8033	1.136	40	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	119.3860	0.000	1	119.3860	0.000	1	117.9998	0.987	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	117.4045	0.540	2	117.4045	0.291	2	117.9998	0.987	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	117.8040	0.000	1	117.8040	0.000	1	117.9998	0.987	4	121.4400	2.788	563	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]2)2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)2{3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	123.1320	0.195	2	123.1320	0.038	2	122.2456	1.309	7	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,6|C<3>}	122.0683	1.290	4	122.0683	1.663	4	122.2456	1.309	7	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,3|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	121.1820	0.000	1	121.1820	0.000	1	122.2456	1.309	7	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	122.6290	0.000	1	122.6290	0.000	1	123.5990	0.710	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	124.2515	0.476	2	123.9223	0.438	3	123.5990	0.710	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	123.2640	0.000	1	123.9223	0.438	3	123.5990	0.710	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.7030	0.000	1	121.7030	0.000	1	121.7030	0.000	1	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	B[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](B[5,6]N[6,6]O[5]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](B[5,6]N[6,6]O[5]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.0640	0.000	1	122.0640	0.000	1	122.2542	0.107	5	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|H<1>,5|C<3>}	122.3350	0.000	1	122.3350	0.000	1	122.2542	0.107	5	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	122.5960	0.000	1	122.1930	0.325	2	122.2542	0.107	5	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.7900	0.000	1	122.1930	0.325	2	122.2542	0.107	5	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	122.4860	0.000	1	122.4860	0.000	1	122.2542	0.107	5	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3,5]S[3])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.7450	0.008	2	120.7450	0.000	2	121.7185	1.332	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.6920	0.453	2	122.6920	0.205	2	121.7185	1.332	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,7|C<3>}	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[4,6]C[6,6a]C[4]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	122.3090	0.678	18	122.3090	0.459	18	122.3090	0.459	18	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	124.2450	0.000	1	124.2450	0.000	1	124.2450	0.000	1	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	122.4285	0.424	4	122.4285	0.180	4	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	123.0470	0.178	2	123.0470	0.032	2	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,6|C<3>}	123.1590	0.161	3	123.1800	0.016	10	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	123.1890	0.122	7	123.1800	0.016	10	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	122.6393	0.251	4	122.6393	0.063	4	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	122.4332	0.351	5	122.4332	0.123	5	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.6090	0.000	1	121.6090	0.000	1	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){2|H<1>,7|C<3>}	123.3930	0.000	1	123.3930	0.000	1	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	123.1440	0.000	1	122.5681	0.540	21	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.2190	0.000	1	122.5681	0.540	21	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.4425	0.759	2	122.5681	0.540	21	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	121.9606	1.044	5	122.5681	0.540	21	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.8233	0.500	12	122.5681	0.540	21	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	122.1080	0.000	1	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	123.3660	0.000	1	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	122.5930	0.000	1	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	122.4280	0.000	1	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	123.3115	0.494	2	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	123.8025	0.233	2	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	123.2750	0.735	2	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	123.1090	0.000	1	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	122.6163	0.424	6	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	122.6612	0.751	4	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	123.2481	0.514	16	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	123.1200	0.041	2	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	122.7598	0.457	23	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	123.1584	0.345	22	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	122.6044	0.417	25	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	122.4956	0.460	8	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	123.0294	0.323	26	122.9072	0.245	143	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.2413	0.242	4	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.9350	0.000	1	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	122.9203	0.315	3	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.4934	0.512	26	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	122.6435	0.247	2	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.9048	0.229	5	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	124.0770	0.000	1	122.7233	0.323	42	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	123.5155	0.006	2	122.6214	0.994	10	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.3979	0.996	8	122.6214	0.994	10	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.5155	0.872	2	122.5155	0.760	2	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	121.8972	0.860	4	121.8972	0.739	4	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.4930	0.000	1	122.4930	0.000	1	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.4750	0.000	1	122.4750	0.000	1	122.8015	0.335	251	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	124.6073	0.276	3	124.6073	0.076	3	124.6073	0.076	3	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	122.0750	2.271	3	122.0750	5.155	3	122.6032	1.130	16	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	122.6169	0.487	8	122.6169	0.237	8	122.6032	1.130	16	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|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>}	122.7667	1.331	3	122.7667	1.773	3	122.6032	1.130	16	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,5|C<3>,5|H<1>}	123.0955	0.180	2	123.0955	0.033	2	122.6032	1.130	16	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	122.3205	0.060	2	122.3205	0.004	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	121.4780	0.199	2	121.4780	0.040	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.8220	0.000	1	121.8220	0.000	1	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.8305	0.299	2	121.8305	0.089	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	123.4890	0.000	1	123.4890	0.000	1	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.7655	0.035	2	121.7655	0.001	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.5240	0.566	2	122.5240	0.320	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.3245	0.245	2	121.3245	0.060	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.5000	0.371	2	123.5000	0.137	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.1530	0.000	1	122.8629	0.069	8	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8214	0.254	7	122.8629	0.069	8	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	123.0045	0.081	2	123.0045	0.007	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.9530	0.308	2	122.9530	0.095	2	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	122.0440	0.000	1	122.4143	0.113	3	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<4>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	122.5995	0.139	2	122.4143	0.113	3	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.6326	0.427	42	122.6326	0.182	42	122.5675	0.301	73	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](P[6,6]C[6,6,6a]C[6,6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,4|C<3>}	C[6,6a](P[6,6]C[6,6,6a]C[6,6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	124.9055	0.132	2	124.9055	0.017	2	124.9055	0.017	2	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[6]C[6,6a]C[6a]Cu)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]Cu)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	124.0885	1.299	4	124.0885	1.689	4	124.2607	1.201	6	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]F){2|H<1>,5|C<3>}	124.0640	0.000	1	124.0640	0.000	1	124.2607	1.201	6	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	125.1460	0.000	1	125.1460	0.000	1	124.2607	1.201	6	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	Si[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](Si[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](Si[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	125.0500	0.134	4	125.0500	0.018	4	125.0500	0.018	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.5880	0.000	1	123.5880	0.000	1	123.1685	0.352	2	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<3>,2|C<3>,4|H<1>}	122.7490	0.000	1	122.7490	0.000	1	123.1685	0.352	2	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.4120	0.000	2	121.4120	0.000	2	121.4120	0.000	2	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.0470	0.000	1	122.4245	0.285	2	122.7143	0.234	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.8020	0.000	1	122.4245	0.285	2	122.7143	0.234	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[4,6]C[4,6]C[4]Cl)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[4,6]C[4,6]C[4]Cl)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.0040	0.286	2	123.0040	0.082	2	122.7143	0.234	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	123.2990	0.000	1	123.1640	0.036	2	123.1640	0.036	2	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	123.0290	0.000	1	123.1640	0.036	2	123.1640	0.036	2	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.3630	0.000	1	122.3630	0.000	1	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.7860	0.000	1	121.7860	0.000	1	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	122.8670	0.000	1	122.5875	0.049	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	122.3280	0.000	1	122.5875	0.049	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	122.5775	0.006	2	122.5875	0.049	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.7420	0.000	1	120.7420	0.000	1	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	122.1270	0.000	1	121.8985	0.352	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.6210	0.863	2	121.8985	0.352	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.2250	0.000	1	121.8985	0.352	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	121.7590	0.000	1	122.4500	0.955	2	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	123.1410	0.000	1	122.4500	0.955	2	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.0930	0.000	1	122.5320	0.154	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	122.6790	0.453	2	122.5320	0.154	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.6770	0.000	1	122.5320	0.154	4	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.5470	0.000	1	121.5470	0.000	1	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	121.6620	0.000	1	121.6620	0.000	1	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	120.9970	0.000	1	120.9970	0.000	1	122.1034	0.445	20	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.3230	0.000	1	122.3230	0.000	1	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|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>}	121.6850	0.000	1	121.6850	0.000	1	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){1|C<4>,3|C<3>,4|H<1>}	121.7290	0.000	1	121.7290	0.000	1	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.4240	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.3750	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.3400	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.3145	0.176	2	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.1280	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	122.8400	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.3030	1.293	2	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.0090	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	121.5120	0.000	1	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.9246	0.493	5	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	121.2110	0.266	2	121.3282	0.378	18	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si){1|C<4>,3|C<3>,4|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	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>}	122.0380	0.000	1	121.3860	0.850	2	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,1|O<2>,3|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>}	120.7340	0.000	1	121.3860	0.850	2	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.2460	0.000	1	121.2460	0.000	1	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	122.4120	0.000	1	122.4120	0.000	1	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)	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)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O){1|H<1>,2|C<3>,2|C<4>}	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>}	120.7955	0.194	2	120.7955	0.038	2	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.4535	0.623	2	122.4535	0.388	2	121.4788	0.441	30	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	121.1395	0.349	4	121.1395	0.122	4	121.1395	0.122	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6])	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)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]){1|C<4>,1|H<1>,4|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>}	121.9480	0.503	2	122.0353	0.189	6	122.0353	0.189	6	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6])	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)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]){1|H<1>,2|C<4>,3|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>}	122.0790	0.472	4	122.0353	0.189	6	122.0353	0.189	6	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	124.2760	0.000	1	124.2760	0.000	1	124.6580	0.149	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	124.7853	0.356	3	124.7853	0.126	3	124.6580	0.149	4	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	122.1680	0.000	1	122.1680	0.000	1	123.5434	0.326	12	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){7|C<3>}	124.3290	0.000	1	124.3290	0.000	1	123.5434	0.326	12	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,8|C<3>}	123.2005	0.391	2	123.2005	0.153	2	123.5434	0.326	12	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,1|O<1>,6|C<3>}	123.7029	0.263	8	123.7029	0.069	8	123.5434	0.326	12	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,6|C<3>}	122.7780	0.000	1	122.7780	0.000	1	123.2997	0.205	3	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	123.5605	0.036	2	123.5605	0.001	2	123.2997	0.205	3	122.6817	0.738	488	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:3:	5:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	P[5,5,6]-5:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[5,5,6]C[5,6a]C[6,6a]C[5,5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<5>,2|H<1>,4|C<3>}	C[6,6a](P[5,5,6]C[5,6a]C[6,6a]C[5,5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	124.5895	0.060	2	124.5895	0.004	2	124.5895	0.004	2	124.5895	0.004	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:2:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N){1|N<3>,1|O<1>,2|C<4>}	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.9270	0.000	1	122.0318	0.014	4	122.0318	0.014	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|O<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.1290	0.000	1	122.0318	0.014	4	122.0318	0.014	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|O<2>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.9340	0.000	1	122.0318	0.014	4	122.0318	0.014	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){2|C<4>,3|C<3>,4|O<2>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.1370	0.000	1	122.0318	0.014	4	122.0318	0.014	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.3430	5.865	2	123.3430	34.395	2	123.3430	34.395	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.9030	0.160	2	121.9030	0.026	2	121.9030	0.026	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6]){2|Cl<1>,1|C<3>,1|C<4>,2|S<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2){1|Cl<1>,1|O<2>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6]){2|Cl<1>,1|C<3>,1|C<4>,2|S<2>}	121.3940	0.686	8	121.3940	0.471	8	121.5063	0.526	9	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.4050	0.000	1	122.4050	0.000	1	121.5063	0.526	9	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	118.6480	0.000	1	118.6480	0.000	1	120.7753	0.944	12	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.6117	0.235	3	121.1222	0.318	10	120.7753	0.944	12	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	121.7673	0.145	3	121.1222	0.318	10	120.7753	0.944	12	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.6595	0.173	2	121.1222	0.318	10	120.7753	0.944	12	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	121.3830	0.284	2	121.1222	0.318	10	120.7753	0.944	12	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	119.4330	0.000	1	119.4330	0.000	1	120.7753	0.944	12	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	122.3440	0.000	1	122.1368	0.144	4	122.1368	0.144	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|O<2>}	122.4240	0.000	1	122.1368	0.144	4	122.1368	0.144	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){2|C<4>,3|C<3>,4|O<2>}	122.1940	0.000	1	122.1368	0.144	4	122.1368	0.144	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])(O[6]C[6,6]){1|O<1>,2|C<3>,2|O<2>,3|C<4>}	121.5850	0.000	1	122.1368	0.144	4	122.1368	0.144	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	119.0700	0.000	1	119.0700	0.000	1	119.3480	0.155	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>}	119.6260	0.000	1	119.6260	0.000	1	119.3480	0.155	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	122.2730	0.000	1	122.2730	0.000	1	121.7263	1.480	10	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	121.2220	0.000	1	121.2220	0.000	1	121.7263	1.480	10	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,3|H<1>}	122.6670	1.788	2	122.6670	3.195	2	121.7263	1.480	10	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	122.0380	0.300	2	122.0380	0.090	2	121.7263	1.480	10	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.8850	0.291	2	119.8850	0.085	2	121.7263	1.480	10	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2940	0.064	2	122.2940	0.004	2	121.7263	1.480	10	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(O[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2000	0.000	1	121.2000	0.000	1	119.8753	1.336	3	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	119.3530	0.000	1	119.3530	0.000	1	119.8753	1.336	3	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.0730	0.000	1	119.0730	0.000	1	119.8753	1.336	3	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	122.0845	0.354	2	122.0845	0.126	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	122.6630	0.000	1	121.9535	1.007	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	121.2440	0.000	1	121.9535	1.007	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	121.9530	0.752	2	121.9530	0.566	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	121.5000	0.000	1	121.7219	0.454	8	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.1998	0.562	4	121.7219	0.454	8	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4930	0.000	1	121.7219	0.454	8	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	120.9915	0.383	2	121.7219	0.454	8	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.2650	0.000	1	122.2650	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	121.2655	0.779	2	121.2655	0.606	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	122.2065	0.081	2	122.1352	0.110	4	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	122.4530	0.000	1	122.1352	0.110	4	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	121.6750	0.000	1	122.1352	0.110	4	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|F<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	123.7500	0.000	1	123.7500	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	122.1510	0.000	1	122.1510	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.7700	0.000	1	122.7700	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	119.8690	0.000	1	119.8690	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	122.2750	0.000	1	122.2750	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,2|C<3>,3|C<4>}	121.8290	0.243	2	121.8290	0.059	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1140	0.000	1	121.1140	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.0210	0.146	2	122.0086	0.221	7	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.4540	0.000	1	122.0086	0.221	7	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.1710	0.000	1	122.0086	0.221	7	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	121.2900	0.000	1	122.0086	0.221	7	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.5810	0.000	1	122.0086	0.221	7	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	121.5220	0.000	1	122.0086	0.221	7	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){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)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.8640	0.000	1	122.8640	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	121.6050	0.000	1	121.6050	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.7705	0.404	2	122.7705	0.163	2	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.6595	0.248	2	121.3533	0.206	4	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.7450	0.000	1	121.3533	0.206	4	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	121.3490	0.000	1	121.3533	0.206	4	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.5070	0.409	7	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.3144	0.653	7	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.6860	0.856	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	122.1720	0.148	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	122.2780	0.000	1	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9520	0.541	7	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.4545	1.344	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	121.9690	0.177	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	121.9025	0.476	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9660	0.000	1	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	121.6220	0.563	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	121.1750	0.000	1	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.2875	0.327	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	122.8310	0.000	1	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	122.0165	0.131	2	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	121.3070	0.000	1	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	120.6640	0.000	1	122.1129	0.410	43	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	122.4470	0.000	1	122.4470	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3990	0.000	1	121.6767	0.069	3	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	121.8155	0.149	2	121.6767	0.069	3	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.9560	0.000	1	121.9560	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1050	0.000	1	122.1050	0.000	1	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.0450	0.000	1	122.6020	0.177	3	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.3805	0.244	2	122.6020	0.177	3	122.0246	0.448	96	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	124.1220	0.696	4	123.2950	1.972	6	123.5971	2.283	7	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	121.6410	0.448	2	123.2950	1.972	6	123.5971	2.283	7	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|S<2>,2|C<4>,3|C<3>}	125.4100	0.000	1	125.4100	0.000	1	123.5971	2.283	7	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.3485	0.870	2	121.3485	0.758	2	121.3485	0.758	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[6]CC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	121.7560	0.171	2	121.7560	0.029	2	121.7560	0.029	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6]){1|B<4>,1|H<1>,5|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.6500	0.000	1	121.2100	0.387	2	120.7717	0.770	3	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,4|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	120.7700	0.000	1	121.2100	0.387	2	120.7717	0.770	3	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5]){1|N<2>,2|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	119.8950	0.000	1	119.8950	0.000	1	120.7717	0.770	3	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,1|O<2>,1|S<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.3910	0.000	1	120.8330	0.623	2	121.1215	0.507	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.2750	0.000	1	120.8330	0.623	2	121.1215	0.507	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|N<2>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	120.8790	0.000	1	120.8790	0.000	1	121.1215	0.507	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H){1|N<2>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	121.9410	0.000	1	121.9410	0.000	1	121.1215	0.507	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O){2|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.8708	0.762	4	121.8708	0.581	4	121.8708	0.581	4	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|N<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.2095	0.080	2	122.2095	0.006	2	122.2095	0.006	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	123.0180	0.000	1	123.0180	0.000	1	122.8250	0.074	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){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,6a]O[6])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	122.6320	0.000	1	122.6320	0.000	1	122.8250	0.074	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:2:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a]C[5,5,6]C[6a])(C[6,6a]C[6a]O[6])(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	121.6090	0.419	2	121.6090	0.175	2	121.6090	0.175	2	121.8175	1.224	177	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	124.1070	0.810	3	124.1070	0.655	3	124.1070	0.655	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]Pd)(C[6]C[6,6]N)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|Pd<4>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]Pd)(C[6]C[6,6]N){2|C<3>,2|C<4>,2|H<1>}	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.6248	0.327	4	124.6248	0.107	4	124.6248	0.107	4	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6])	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H){2|B<4>,4|C<3>}	120.1504	0.828	5	120.1504	0.685	5	120.1504	0.685	5	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.5040	0.000	1	121.5040	0.000	1	121.5040	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1060	0.177	2	121.1060	0.031	2	120.8441	0.619	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	121.6023	0.826	3	121.6023	0.682	3	120.8441	0.619	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	122.0080	0.000	1	122.0080	0.000	1	120.8441	0.619	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	121.4480	0.045	2	121.4480	0.002	2	120.8441	0.619	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	120.2697	0.446	9	120.2697	0.199	9	120.8441	0.619	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.8700	0.000	1	121.8700	0.000	1	122.7230	1.455	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.5760	0.000	1	123.5760	0.000	1	122.7230	1.455	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[3x6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6]){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	120.3650	0.000	1	120.3650	0.000	1	120.3650	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[5,6a]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[5,6a]2N[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[5a,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|C<4>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2){1|B<3>,1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.3270	0.663	2	121.3270	0.440	2	121.3270	0.440	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O){1|Si<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6]){1|Si<4>,1|B<4>,2|H<1>,5|C<3>}	120.0285	0.162	2	120.0285	0.026	2	120.0285	0.026	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	121.2370	0.000	1	121.2370	0.000	1	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,4|C<3>}	119.9440	0.000	1	119.9440	0.000	1	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|H<1>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.9525	0.524	2	120.9525	0.275	2	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	121.4990	0.000	1	121.4745	0.001	2	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	121.4500	0.000	1	121.4745	0.001	2	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,3|C<3>}	121.9440	0.000	1	121.4785	0.427	6	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	121.5690	0.000	1	121.4785	0.427	6	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	122.0360	0.000	1	121.4785	0.427	6	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	121.1073	0.769	3	121.4785	0.427	6	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|C<4>,1|N<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	121.0950	0.000	1	121.0950	0.000	1	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	122.0720	0.000	1	121.5367	0.239	3	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.2690	0.219	2	121.5367	0.239	3	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,2|F<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	121.6610	0.000	1	121.6610	0.000	1	121.3101	0.348	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7570	0.170	2	120.7570	0.029	2	120.7570	0.029	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	120.4310	0.000	1	121.2324	0.319	5	121.1722	0.277	6	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.4327	0.397	4	121.2324	0.319	5	121.1722	0.277	6	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	120.8710	0.000	1	120.8710	0.000	1	121.1722	0.277	6	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	120.4130	0.000	1	120.4130	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	119.3200	0.000	1	119.3200	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	119.9550	0.000	1	119.9550	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	120.0320	0.000	1	120.0320	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|Cl<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){2|Cl<1>,1|B<4>,1|C<3>,1|C<4>}	121.8170	0.231	3	121.8170	0.054	3	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	120.7310	0.000	1	120.7310	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	121.2730	0.000	1	121.2730	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.6128	0.459	4	121.6128	0.211	4	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.3570	0.182	5	121.3570	0.033	5	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	120.3140	0.000	1	120.3140	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.0649	0.313	10	120.5273	0.431	20	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	120.6140	0.000	1	120.5273	0.431	20	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	119.9525	0.194	2	120.5273	0.431	20	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	119.9111	0.418	7	120.5273	0.431	20	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.4370	0.000	1	121.4370	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,2|C<3>,2|F<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	121.3220	0.000	1	121.3070	0.000	2	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	121.2920	0.000	1	121.3070	0.000	2	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<4>,1|O<2>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]N){1|B<4>,1|C<3>,2|H<1>}	121.8500	0.000	1	121.8500	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){2|C<3>,2|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	120.9640	0.000	1	120.9640	0.000	1	120.8667	0.553	44	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.1125	0.411	2	121.1125	0.169	2	121.1125	0.169	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	121.6240	0.000	1	121.6240	0.000	1	121.7849	0.238	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF){1|H<1>,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]H){1|B<4>,2|H<1>,4|C<3>}	120.9480	0.000	1	120.9480	0.000	1	121.7849	0.238	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,1|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]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	122.2430	0.000	1	121.8958	0.193	9	121.7849	0.238	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,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]H){1|B<4>,2|H<1>,4|C<3>}	121.8524	0.448	8	121.8958	0.193	9	121.7849	0.238	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6]){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,4|C<4>}	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	123.8365	0.211	2	123.8365	0.045	2	122.1255	4.258	4	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	120.4145	1.009	2	120.4145	1.018	2	122.1255	4.258	4	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.5788	0.770	13	123.5788	0.593	13	123.5840	0.541	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.6010	0.716	4	123.6010	0.513	4	123.5840	0.541	17	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.7630	0.000	1	123.7630	0.000	1	123.7630	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	122.6297	0.666	6	122.6297	0.443	6	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,2|F<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5]){1|F<1>,1|N<2>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	121.8050	0.000	1	121.8050	0.000	1	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,1|H<1>,2|F<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	121.1220	0.417	2	121.1220	0.174	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.5055	0.008	2	123.5055	0.000	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9600	0.000	1	121.7980	0.020	3	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.7390	0.000	1	121.7980	0.020	3	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.6950	0.000	1	121.7980	0.020	3	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	124.0690	0.000	1	123.1855	1.561	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.3020	0.000	1	123.1855	1.561	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.5970	0.263	2	122.5970	0.069	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.8200	0.000	1	120.8200	0.000	1	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.7950	0.000	1	120.7825	0.000	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.7700	0.000	1	120.7825	0.000	2	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|O<2>}	122.0600	0.000	1	122.0600	0.000	1	122.1928	0.940	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|Br<1>,1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	121.5800	0.549	2	121.5800	0.301	2	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6790	0.000	1	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.3180	0.000	1	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6162	0.415	17	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.9210	0.000	1	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	121.7875	0.006	2	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.4700	0.656	4	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	122.0090	0.000	1	121.6614	0.188	27	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.4640	0.707	2	121.7850	1.633	3	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<3>,3|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	120.4270	0.000	1	121.7850	1.633	3	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.8090	0.000	1	122.8090	0.000	1	121.7025	0.305	33	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,3|H<1>}	121.4300	0.000	1	121.4300	0.000	1	121.7910	1.617	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	123.2040	0.000	1	123.2040	0.000	1	121.7910	1.617	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	120.7390	0.000	1	120.7390	0.000	1	121.7910	1.617	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.4530	0.137	2	122.4530	0.019	2	122.4530	0.019	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]2)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]2){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	121.3770	0.000	1	121.3328	0.197	5	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|O<1>,1|O<2>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	121.3217	0.512	4	121.3328	0.197	5	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|O<2>,2|O<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O){1|C<3>,1|H<1>,3|C<4>}	122.6240	0.000	1	122.6240	0.000	1	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O){1|C<3>,1|H<1>,2|C<4>}	122.5030	0.000	1	122.5030	0.000	1	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7480	0.000	1	122.1059	1.613	12	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5390	0.548	3	122.1059	1.613	12	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.5145	0.006	2	122.1059	1.613	12	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.5650	0.000	1	122.1059	1.613	12	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.6624	1.717	5	122.1059	1.613	12	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.7920	0.000	1	120.2735	0.437	4	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.1007	0.691	3	120.2735	0.437	4	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O){1|C<3>,1|H<1>,2|C<4>}	122.2040	0.000	1	122.2040	0.000	1	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.5560	0.720	2	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	121.4550	0.000	1	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	121.5915	0.313	2	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.8310	0.000	1	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	121.9000	0.614	2	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	123.4347	0.984	3	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5460	0.000	1	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.2560	0.000	1	122.2682	0.907	13	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3830	0.000	1	123.3830	0.000	1	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8520	0.000	2	121.8520	0.000	2	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.1347	0.362	4	121.1347	0.131	4	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	123.0020	0.000	1	123.0020	0.000	1	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2180	0.000	1	122.2180	0.000	1	121.8846	1.165	46	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>}	122.9670	0.000	1	122.9670	0.000	1	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	120.7730	0.538	3	121.0296	0.271	5	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	121.4920	0.000	1	121.0296	0.271	5	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	121.3370	0.000	1	121.0296	0.271	5	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	121.0670	0.000	1	120.4328	0.326	5	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	120.2583	0.632	3	120.4328	0.326	5	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	120.3220	0.000	1	120.4328	0.326	5	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	120.9360	0.000	1	120.9930	0.006	2	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	121.0500	0.000	1	120.9930	0.006	2	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	120.4670	0.096	2	120.4670	0.009	2	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	119.4160	0.000	1	119.4160	0.000	1	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	120.8370	0.000	1	120.8370	0.000	1	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	121.0470	0.000	1	121.0470	0.000	1	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	122.4430	0.000	1	122.7740	0.246	4	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.8843	0.544	3	122.7740	0.246	4	121.1634	1.130	22	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,3|H<1>}	121.7970	0.000	1	121.7970	0.000	1	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0975	0.189	2	121.3835	0.121	4	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6450	0.000	1	121.3835	0.121	4	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6940	0.000	1	121.3835	0.121	4	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6210	0.000	1	120.6210	0.000	1	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1700	0.000	1	121.5150	0.238	2	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8600	0.000	1	121.5150	0.238	2	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	122.1530	0.000	1	122.1530	0.000	1	121.4594	0.241	9	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	121.1690	0.000	1	121.1690	0.000	1	121.7437	0.302	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.0310	0.331	2	122.0310	0.110	2	121.7437	0.302	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|Cl<1>,1|O<2>,1|S<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	122.8370	0.000	1	122.8370	0.000	1	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.9960	0.000	1	121.9960	0.000	1	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	123.4450	0.000	1	122.9651	0.097	7	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.8852	0.250	6	122.9651	0.097	7	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.6407	0.451	3	122.6407	0.203	3	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.2510	0.000	1	122.6015	0.664	4	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2725	1.163	2	122.6015	0.664	4	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.6100	0.000	1	122.6015	0.664	4	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.3440	0.000	1	122.8485	0.509	2	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	123.3530	0.000	1	122.8485	0.509	2	122.7563	0.267	18	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.7450	0.000	1	121.7450	0.000	1	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.2825	0.235	2	121.6113	0.202	6	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.2500	0.000	1	121.6113	0.202	6	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.1540	0.122	2	121.6113	0.202	6	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.5450	0.000	1	121.6113	0.202	6	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	122.4660	0.000	1	122.4660	0.000	1	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|F<1>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3540	0.000	1	122.3540	0.000	1	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3660	0.000	1	122.3637	0.471	3	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	123.0490	0.000	1	122.3637	0.471	3	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	121.6760	0.000	1	122.3637	0.471	3	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.2290	0.000	1	121.2290	0.000	1	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6850	0.000	1	121.6850	0.000	1	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.2130	0.000	1	122.2130	0.000	1	121.8967	0.303	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	120.1130	0.000	1	120.0362	0.252	6	119.9787	0.312	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.0208	0.560	5	120.0362	0.252	6	119.9787	0.312	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.1095	0.337	2	119.8695	0.460	6	119.9787	0.312	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.7495	0.819	4	119.8695	0.460	6	119.9787	0.312	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.2890	0.000	1	120.2890	0.000	1	119.9787	0.312	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.0540	0.000	1	120.0540	0.000	1	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	119.8160	0.000	1	119.8160	0.000	1	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.5670	0.000	1	121.5670	0.000	1	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	122.3540	0.000	1	122.3540	0.000	1	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.4550	0.000	1	122.4550	0.000	1	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.7470	0.000	1	122.1067	3.919	3	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.7865	2.688	2	122.1067	3.919	3	121.5708	2.211	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	119.4460	0.010	2	119.4460	0.000	2	119.4460	0.000	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.9065	0.011	2	122.9065	0.000	2	122.9065	0.000	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	118.9793	0.168	3	118.9793	0.028	3	119.8155	0.710	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	119.9665	0.033	2	120.1260	0.077	3	119.8155	0.710	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	120.4450	0.000	1	120.1260	0.077	3	119.8155	0.710	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	120.6040	1.062	2	120.6040	1.128	2	119.8155	0.710	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1690	0.000	1	121.1690	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	119.8120	0.000	1	119.8120	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,5|C<3>}	119.6118	0.423	5	119.4437	2.271	9	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.2335	2.390	4	119.4437	2.271	9	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.0390	0.000	1	120.6985	0.870	2	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.3580	0.000	1	120.6985	0.870	2	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.3800	0.000	1	120.3800	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	120.4060	0.000	1	120.4060	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	121.4920	0.000	1	121.4920	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.9920	0.000	1	121.9920	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.9550	0.000	1	120.9550	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.4660	0.000	1	120.7920	0.095	3	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.9550	0.177	2	120.7920	0.095	3	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.4430	0.000	1	120.5197	0.349	3	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.1450	0.000	1	120.5197	0.349	3	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.9710	0.000	1	120.5197	0.349	3	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.8230	0.000	1	121.8230	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.2150	0.000	1	120.2150	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	122.0440	0.000	1	122.0440	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.7940	0.501	2	120.7940	0.251	2	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.0175	0.418	4	120.8780	0.233	7	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.8650	0.000	1	120.8780	0.233	7	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6055	0.804	2	120.8780	0.233	7	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	121.0790	0.386	2	121.0790	0.149	2	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	120.1463	0.472	4	119.9820	0.302	5	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	119.3250	0.000	1	119.9820	0.302	5	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.4550	0.000	1	121.4550	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.0955	0.523	2	120.0955	0.273	2	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.0968	0.735	4	120.0968	0.541	4	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.7670	0.000	1	121.7670	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	121.0230	0.000	1	121.0230	0.000	1	120.4853	0.995	52	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4810	0.000	1	122.4810	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	122.0470	0.000	1	122.0470	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0190	0.366	2	123.0190	0.134	2	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.7800	0.000	1	123.1912	0.172	4	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.3283	0.382	3	123.1912	0.172	4	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3760	0.000	1	122.3760	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2540	0.000	1	122.1605	0.358	13	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.5035	0.732	2	122.1605	0.358	13	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	121.9826	0.473	10	122.1605	0.358	13	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	122.7010	0.000	1	122.7010	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.5940	0.000	1	120.5940	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.1600	0.000	1	121.1600	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.1140	0.000	1	121.1140	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.5680	0.000	1	120.5680	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>,3|C<3>}	121.2760	0.000	1	120.8785	0.316	2	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	120.4810	0.000	1	120.8785	0.316	2	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.4140	0.000	1	119.4140	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.6260	0.000	1	122.6260	0.000	1	122.0557	0.974	31	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	121.2610	0.000	1	121.2610	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.6880	0.013	2	119.6880	0.000	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	119.6833	0.730	3	119.9562	0.654	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7750	0.000	1	119.9562	0.654	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.0900	0.000	1	119.0900	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.4190	0.096	2	121.4190	0.009	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	119.2524	1.093	5	119.5085	1.350	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	120.7890	0.000	1	119.5085	1.350	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	119.5850	0.000	1	119.5850	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	119.0520	0.000	1	119.0520	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.8728	0.654	9	120.8728	0.428	9	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	119.0560	0.000	1	119.0560	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	118.5982	0.175	6	118.5982	0.031	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	118.9620	0.000	1	118.9620	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|Br<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<4>,1|O<2>,2|C<3>}	122.5300	0.000	1	122.5300	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Br<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	122.1200	0.000	1	122.1200	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	121.3390	0.000	1	121.2105	0.033	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	121.0820	0.000	1	121.2105	0.033	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	124.0190	0.791	2	124.0190	0.625	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	120.2100	0.000	1	120.3010	0.017	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	120.3920	0.000	1	120.3010	0.017	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	120.7610	0.083	2	121.5913	0.952	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	122.4215	0.302	2	121.5913	0.952	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	119.2910	0.000	1	119.2910	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5600	0.000	1	120.5600	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,3|C<3>}	122.9930	0.000	1	122.8252	0.048	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,2|C<3>}	122.7693	0.229	3	122.8252	0.048	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Cl<1>,1|C<4>,2|C<3>}	122.7390	0.000	1	122.7390	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.6780	0.000	1	121.8588	0.505	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	121.8985	0.756	2	121.8588	0.505	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	121.8670	0.000	1	121.8588	0.505	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	120.7460	0.000	1	121.8588	0.505	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	122.0650	0.000	1	121.8588	0.505	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8760	0.000	1	120.8760	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	122.8430	0.000	1	123.0507	0.275	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4180	0.484	2	123.0507	0.275	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.5240	0.000	1	123.0507	0.275	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	122.9740	0.000	1	122.5213	0.188	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.2950	0.260	2	122.5213	0.188	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.0470	0.000	1	121.0470	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.2950	0.000	1	123.2950	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.3200	0.000	1	121.1680	0.046	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.0160	0.000	1	121.1680	0.046	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2710	0.000	1	123.2710	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.5790	0.000	1	122.9940	0.344	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	123.4090	0.000	1	122.9940	0.344	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.6510	0.000	1	120.6510	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	120.7010	0.000	1	121.0664	0.083	8	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.7780	0.000	1	121.0664	0.083	8	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.1753	0.242	6	121.0664	0.083	8	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4640	0.000	1	120.4640	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	122.3670	0.178	2	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	123.2800	0.000	1	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.3990	1.058	2	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	123.3823	0.204	3	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	122.7460	0.000	1	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	122.3000	0.000	1	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	121.1070	0.000	1	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	123.0360	0.000	1	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	121.3590	0.000	1	122.5775	0.649	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.6057	0.174	3	120.6057	0.030	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.3710	0.000	1	122.3710	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0780	0.045	2	120.7182	0.736	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	121.3585	0.752	2	120.7182	0.736	4	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	122.4050	0.000	1	122.4050	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,2|H<1>}	121.0470	0.445	2	121.0470	0.198	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.9000	0.000	1	120.9000	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1460	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	122.0413	0.271	3	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	123.0370	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	122.4955	0.459	2	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.6370	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7230	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	124.1160	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	122.7930	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	122.9300	0.028	2	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6390	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2220	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	123.0640	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	122.5560	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	123.0400	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.3575	0.087	2	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	122.4130	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	122.2530	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.5970	0.000	1	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	122.1694	0.549	8	122.4607	0.301	31	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Se){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	121.2380	0.000	1	121.2380	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	122.6540	0.000	1	122.6540	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	119.9930	0.000	1	119.9930	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	123.2790	0.000	1	123.0610	0.095	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|H<1>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	122.8430	0.000	1	123.0610	0.095	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	122.7205	0.144	2	122.1330	0.297	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	121.9250	0.000	1	122.1330	0.297	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	121.8107	0.457	3	122.1330	0.297	6	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	122.3550	0.000	1	122.3550	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	119.7030	0.000	1	120.4159	0.301	7	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	119.9060	0.000	1	120.4159	0.301	7	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	120.9450	0.000	1	120.4159	0.301	7	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9340	0.000	1	120.4159	0.301	7	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	120.7045	0.405	2	120.4159	0.301	7	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.0140	0.000	1	120.4159	0.301	7	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	121.4150	0.167	2	121.6493	0.179	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	122.1180	0.000	1	121.6493	0.179	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	123.2820	0.000	1	123.0975	0.068	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.9130	0.000	1	123.0975	0.068	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	121.1660	0.000	1	121.1660	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,2|H<1>}	122.0420	0.000	1	122.0420	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.5830	0.000	1	121.5830	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,4|H<1>}	121.9287	0.044	3	121.9287	0.002	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	121.2190	0.569	2	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|F<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	122.0195	0.074	2	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	123.1790	0.000	1	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.9014	0.394	5	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.9090	0.000	1	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	122.3762	0.041	4	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	122.5030	0.000	1	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	122.1366	1.153	9	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	121.6080	0.000	1	122.3045	0.713	26	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4456	0.658	7	121.5494	0.497	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.2430	1.369	2	121.5494	0.497	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	121.3842	0.341	4	121.5494	0.497	13	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|S<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.1050	0.000	1	120.9751	0.533	9	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	120.7892	0.798	4	120.9751	0.533	9	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.6133	0.269	3	120.9751	0.533	9	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	120.6740	0.000	1	120.9751	0.533	9	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	120.0765	0.424	2	120.0765	0.179	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.2400	0.000	1	119.2400	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5350	0.000	1	121.5350	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2455	0.056	2	122.2455	0.003	2	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.1930	0.000	1	123.3156	0.053	5	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>}	123.3790	0.304	2	123.3156	0.053	5	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>}	123.3135	0.310	2	123.3156	0.053	5	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.1190	0.000	1	124.1190	0.000	1	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.6805	0.141	2	122.0380	0.393	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.7530	0.000	1	122.0380	0.393	3	121.6324	1.638	234	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.2450	0.000	1	120.2450	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	124.6755	0.487	2	124.6755	0.237	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	122.0190	0.000	1	121.4760	0.590	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.9330	0.000	1	121.4760	0.590	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	123.7220	0.000	1	123.7220	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.1210	0.000	1	121.1940	2.512	4	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	123.4330	0.000	1	121.1940	2.512	4	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.4030	0.000	1	121.1940	2.512	4	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.8190	0.000	1	121.1940	2.512	4	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.7580	0.045	2	121.8134	0.012	5	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	121.7500	0.000	1	121.8134	0.012	5	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.9005	0.142	2	121.8134	0.012	5	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	123.9960	0.000	1	124.0680	0.010	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	124.1400	0.000	1	124.0680	0.010	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.2530	0.000	1	120.2530	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	122.4960	0.000	1	122.4960	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.8776	0.919	5	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	124.4030	0.000	1	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.4140	0.000	1	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9800	0.000	1	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.3010	0.000	1	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	124.0270	0.000	1	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.1440	0.069	2	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.1620	0.000	1	121.9202	3.001	13	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.3870	0.000	1	120.3870	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	123.0660	0.000	1	123.0660	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	120.8175	0.199	2	120.8175	0.039	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	120.6900	0.000	1	120.6900	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.9830	0.000	1	119.9830	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.2720	0.000	1	119.9570	0.198	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	119.6420	0.000	1	119.9570	0.198	2	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	124.0670	0.000	1	124.0670	0.000	1	121.8464	2.606	41	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	123.0140	0.000	1	123.0140	0.000	1	122.3645	0.954	12	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.4570	0.000	1	122.3055	1.004	11	122.3645	0.954	12	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	120.4490	0.730	2	122.3055	1.004	11	122.3645	0.954	12	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.7506	0.378	8	122.3055	1.004	11	122.3645	0.954	12	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	119.5440	0.000	1	119.5440	0.000	1	120.7037	3.139	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	122.7430	0.000	1	121.2835	4.260	2	120.7037	3.139	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	119.8240	0.000	1	121.2835	4.260	2	120.7037	3.139	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.2390	0.000	1	124.2390	0.000	1	124.2390	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2){2|C<4>,3|H<1>,5|C<3>}	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,6|C<3>}	120.0440	1.071	2	120.0440	1.146	2	120.2633	2.291	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,7|C<3>}	119.2855	1.125	6	119.2855	1.265	6	120.2633	2.291	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	122.7320	0.167	3	122.7320	0.028	3	120.2633	2.291	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,6|C<3>}	119.9880	0.210	4	119.9880	0.044	4	120.2633	2.291	15	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	120.0210	0.000	1	120.0210	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	120.3608	0.686	5	120.1279	0.420	8	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	119.7397	0.407	3	120.1279	0.420	8	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O){2|H<1>,3|C<3>,3|C<4>}	123.8010	0.000	1	123.8010	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6]){1|S<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[6]H){1|C<4>,3|C<3>,3|H<1>}	121.4915	0.175	2	121.4915	0.031	2	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.2950	0.000	1	121.2950	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.4250	0.212	2	120.3080	0.064	3	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.0740	0.000	1	120.3080	0.064	3	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.9730	0.000	1	123.9730	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.8860	0.000	1	120.8860	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	120.0750	0.000	1	120.0750	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){2|C<4>,3|H<1>,5|C<3>}	123.2897	0.592	3	122.7398	1.025	6	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	123.5080	0.000	1	122.7398	1.025	6	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){1|C<4>,3|H<1>,5|C<3>}	121.5310	0.068	2	122.7398	1.025	6	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	121.3255	0.660	2	121.3255	0.435	2	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	124.2605	0.551	2	124.2605	0.303	2	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	120.8430	0.000	1	120.8430	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9670	0.000	1	121.9670	0.000	1	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	122.3495	0.190	2	122.3495	0.036	2	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|Br<1>,1|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	121.4030	0.000	1	121.6960	0.230	7	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|Br<1>,1|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	121.4010	0.000	1	121.6960	0.230	7	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	120.9970	0.000	1	121.6960	0.230	7	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	122.0150	0.000	1	121.6960	0.230	7	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.0187	0.389	3	121.6960	0.230	7	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){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[6]O){1|C<4>,3|C<3>,4|H<1>}	123.9945	0.158	4	123.9922	0.019	5	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){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[6]O){1|C<4>,3|C<3>,3|H<1>}	123.9830	0.000	1	123.9922	0.019	5	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	123.1065	1.010	2	123.1065	1.021	2	121.8755	2.246	47	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.1760	0.000	1	122.1760	0.000	1	122.0307	0.327	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|N<2>,2|C<3>,2|N<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	121.9580	0.789	2	121.9580	0.623	2	122.0307	0.327	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	124.7060	0.000	1	124.7060	0.000	1	124.7060	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<4>,1|C<4>,3|C<3>}	122.0770	0.000	1	122.0770	0.000	1	123.0110	1.745	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){1|Cl<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<4>,2|Cl<1>,1|C<3>,1|C<4>}	123.9450	0.000	1	123.9450	0.000	1	123.0110	1.745	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.5870	0.000	1	123.5870	0.000	1	123.5870	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|C<3>,3|C<4>}	121.8537	0.534	7	121.8537	0.285	7	122.7247	1.200	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){1|Si<4>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|Si<4>,1|C<3>,2|C<4>}	124.3545	0.218	2	123.7408	0.236	6	122.7247	1.200	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){1|Si<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|Si<4>,1|C<4>,2|C<3>}	123.4340	0.027	4	123.7408	0.236	6	122.7247	1.200	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]B)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]B){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	121.1670	0.583	3	121.1670	0.340	3	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]Pd)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6]Pd){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	121.9205	1.309	2	121.9205	1.713	2	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	122.5030	0.000	1	122.5030	0.000	1	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OO)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	121.7470	0.000	1	121.7470	0.000	1	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	120.9590	0.000	1	120.9590	0.000	1	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OS)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]OS){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	121.6240	0.000	1	121.6240	0.000	1	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	120.9416	0.377	5	121.1416	0.231	7	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<7>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]PdO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	121.6415	0.342	2	121.1416	0.231	7	121.3854	0.435	16	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	121.5170	0.000	1	120.9540	0.218	4	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|P<4>,2|C<3>,2|H<1>}	120.7663	0.340	3	120.9540	0.218	4	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Pd)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Pd){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.1865	0.317	2	119.1865	0.101	2	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Ru)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Ru<9>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Ru){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.0420	0.000	1	121.0420	0.000	1	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Se)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Se<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]Se){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.9100	0.000	1	119.9100	0.000	1	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]HO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	121.6650	0.000	1	121.6650	0.000	1	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]RhO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Rh<4>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]RhO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	120.9995	0.730	2	120.9995	0.534	2	120.6186	0.791	11	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	119.2180	0.000	1	119.9845	1.175	2	119.9845	1.175	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	120.7510	0.000	1	119.9845	1.175	2	119.9845	1.175	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.8370	0.000	1	119.8370	0.000	1	120.0887	2.384	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	120.2145	2.162	2	120.2145	4.673	2	120.0887	2.384	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	119.8070	0.000	1	119.8070	0.000	1	119.8653	0.008	4	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	119.9005	0.139	2	119.9005	0.019	2	119.8653	0.008	4	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	119.8530	0.000	1	119.8530	0.000	1	119.8653	0.008	4	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	120.6650	0.000	1	120.5260	0.039	2	119.9442	0.302	5	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){2|C<3>,2|H<1>,3|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	120.3870	0.000	1	120.5260	0.039	2	119.9442	0.302	5	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	119.4130	0.000	1	119.4130	0.000	1	119.9442	0.302	5	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|S<4>,2|H<1>}	119.6280	0.106	2	119.6280	0.011	2	119.9442	0.302	5	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]N[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]N[6]C){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|F<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C){1|B<4>,1|C<3>,2|C<4>}	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2){1|C<4>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,2|H<1>,3|C<3>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[5,6]C[5,6a]2N[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[5,6]C[5,6a]2N[6]){9|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,3|C<3>}	121.7725	0.107	2	121.7725	0.011	2	121.7725	0.011	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2){9|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|B<4>,1|C<4>,3|C<3>}	120.2975	0.787	2	120.2975	0.619	2	121.3504	0.898	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,3|C<3>}	121.1110	0.170	3	121.1110	0.029	3	121.3504	0.898	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	122.0525	0.470	2	122.2917	0.282	3	121.3504	0.898	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|I<1>,2|C<3>}	122.7700	0.000	1	122.2917	0.282	3	121.3504	0.898	8	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.4000	0.000	1	123.4000	0.000	1	123.4000	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>}	121.3790	0.000	1	121.3790	0.000	1	121.3510	0.002	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.3230	0.000	1	121.3230	0.000	1	121.3510	0.002	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	124.2450	0.281	2	124.2450	0.079	2	124.2450	0.079	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	121.8010	0.000	1	121.8010	0.000	1	121.8010	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	118.9890	0.000	1	118.9890	0.000	1	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	120.2520	0.000	1	120.2520	0.000	1	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	120.4225	0.521	2	120.4225	0.272	2	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	123.4930	0.000	1	123.4930	0.000	1	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	122.7250	0.000	1	122.7250	0.000	1	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.6255	0.033	2	121.6255	0.001	2	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	121.6150	0.000	1	121.6150	0.000	1	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	120.7758	0.279	4	120.7758	0.078	4	121.0979	1.350	13	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.8715	0.476	2	118.8715	0.226	2	118.4663	0.606	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	117.6560	0.000	1	117.6560	0.000	1	118.4663	0.606	3	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]P[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]OO){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	120.8680	0.000	1	120.8680	0.000	1	120.8680	0.000	1	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6]){1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]N[6]OO){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.3095	0.490	2	120.3095	0.240	2	120.3095	0.240	2	121.5469	1.765	898	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1710	0.000	1	122.1710	0.000	1	122.5705	0.159	6	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1220	0.000	1	122.4967	0.184	3	122.5705	0.159	6	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	122.6840	0.397	2	122.4967	0.184	3	122.5705	0.159	6	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	122.8810	0.242	2	122.8810	0.058	2	122.5705	0.159	6	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|C<4>,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|B<4>,1|C<3>,4|H<1>}	122.6530	0.372	3	122.6530	0.138	3	122.6530	0.138	3	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	123.1230	0.000	1	123.1230	0.000	1	123.1230	0.000	1	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	123.8430	0.000	1	123.7950	0.005	2	123.3784	0.192	14	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	123.7470	0.000	1	123.7950	0.005	2	123.3784	0.192	14	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	123.1011	0.307	7	123.1457	0.097	8	123.3784	0.192	14	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	123.4580	0.000	1	123.1457	0.097	8	123.3784	0.192	14	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.0735	0.029	2	124.0735	0.001	2	123.3784	0.192	14	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|S<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	123.1975	0.056	2	123.1975	0.003	2	123.3784	0.192	14	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,3|C<4>,3|H<1>}	124.5290	0.000	1	124.5290	0.000	1	122.6712	0.418	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.1520	0.000	1	122.8784	0.035	5	122.6712	0.418	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	122.8100	0.127	4	122.8784	0.035	5	122.6712	0.418	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	122.3497	0.374	9	122.3497	0.140	9	122.6712	0.418	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	123.1140	0.164	2	123.1140	0.027	2	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	121.7455	0.223	6	121.7455	0.050	6	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	121.1200	0.240	2	121.1200	0.058	2	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|H<1>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	121.6465	0.124	2	121.6465	0.015	2	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6]){1|C<3>,1|N<2>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	122.8710	0.079	2	122.8710	0.006	2	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,4|H<1>}	123.2650	0.000	1	123.2650	0.000	1	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.0730	0.000	1	122.9047	0.026	3	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	122.8205	0.097	2	122.9047	0.026	3	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	123.4160	0.000	1	123.4160	0.000	1	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.6930	0.000	1	123.6930	0.000	1	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	122.4657	0.829	4	122.3592	0.451	6	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	122.1460	0.242	2	122.3592	0.451	6	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	123.1420	0.175	2	123.1420	0.031	2	122.4108	0.610	28	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	124.2060	0.000	1	124.2060	0.000	1	124.2320	0.001	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|C<4>,2|H<1>,4|C<3>}	124.2580	0.000	1	124.2580	0.000	1	124.2320	0.001	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,4|C<4>}	122.3825	0.190	2	122.3825	0.036	2	122.5513	0.104	3	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	122.8890	0.000	1	122.8890	0.000	1	122.5513	0.104	3	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1975	0.104	2	122.1975	0.011	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.8113	0.392	4	122.8113	0.154	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0260	0.130	3	123.0260	0.017	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1520	0.000	1	122.5950	0.429	10	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0557	0.263	3	122.5950	0.429	10	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	123.6400	0.000	1	122.5950	0.429	10	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7280	0.000	1	122.5950	0.429	10	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0658	0.469	4	122.5950	0.429	10	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0450	0.000	1	122.6748	0.229	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5513	0.502	3	122.6748	0.229	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.6340	0.000	1	123.6340	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	122.4670	0.000	1	121.7662	0.254	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5980	0.000	1	121.7662	0.254	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	121.5000	0.318	2	121.7662	0.254	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,3|C<4>}	122.9345	0.327	2	122.9345	0.107	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	121.6847	0.543	3	121.6847	0.295	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<3>,3|C<4>}	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>}	120.3290	0.287	2	120.6830	0.211	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|C<4>}	121.0370	0.222	2	120.6830	0.211	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	121.7633	0.325	6	121.7633	0.106	6	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.1035	0.829	2	123.1035	0.688	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	122.6360	0.000	1	122.6360	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	122.6450	0.000	1	122.6450	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.0410	0.000	1	123.0410	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|Cr<9>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	123.2810	0.000	1	123.2810	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	124.1880	0.000	1	124.1880	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2920	0.000	1	123.4748	0.191	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	123.2560	0.000	1	123.4748	0.191	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.1250	0.000	1	123.4748	0.191	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	123.8505	0.528	2	123.4748	0.191	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.5320	0.000	1	123.2130	0.476	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.8470	0.000	1	123.2130	0.476	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	122.7365	0.685	2	123.2130	0.476	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	123.4220	0.000	1	123.4220	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	123.2160	0.000	1	123.2160	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2800	0.000	1	123.1490	0.930	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.5380	0.000	1	123.1490	0.930	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.4490	0.000	1	123.1490	0.930	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.3290	0.000	1	123.1490	0.930	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.3890	0.000	1	122.9407	0.386	9	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	122.8856	0.842	5	122.9407	0.386	9	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	122.9610	0.000	1	122.9407	0.386	9	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	122.7500	0.000	1	122.9407	0.386	9	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9380	0.000	1	122.9407	0.386	9	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.7070	0.000	1	122.7070	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	122.6135	0.397	2	122.6135	0.157	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.2505	0.465	2	123.2505	0.216	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.7530	0.000	1	122.7530	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	123.5180	0.000	1	123.5180	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	122.6250	0.000	1	122.6250	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0560	0.000	1	122.9897	0.003	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,3|H<1>}	122.9440	0.000	1	122.9897	0.003	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	122.9690	0.000	1	122.9897	0.003	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,4|H<1>}	123.4460	0.000	1	125.4200	6.155	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	126.4070	2.543	2	125.4200	6.155	3	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.1430	0.000	1	122.7180	0.502	7	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<2>,3|H<1>}	123.2335	0.146	2	122.7180	0.502	7	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2990	0.000	1	122.7180	0.502	7	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	122.3260	0.000	1	122.7180	0.502	7	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	122.8955	0.218	2	122.7180	0.502	7	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	123.5590	0.000	1	123.0932	0.411	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	123.0340	0.000	1	123.0932	0.411	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	123.6940	0.000	1	123.0932	0.411	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,3|H<1>}	123.1160	0.000	1	123.0932	0.411	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.0630	0.000	1	123.0932	0.411	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,3|H<1>}	122.2250	0.000	1	122.2250	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	122.7180	0.000	1	122.7180	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	122.7770	0.000	1	122.7770	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	123.7800	0.000	1	123.4445	0.225	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	123.1090	0.000	1	123.4445	0.225	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	123.0695	0.448	2	123.0695	0.200	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	124.1550	0.000	1	124.1550	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.8395	0.499	2	122.8395	0.249	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.5800	0.000	1	124.5800	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7017	0.749	3	122.6707	0.378	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5780	0.000	1	122.6707	0.378	4	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.9230	0.000	1	122.5188	1.071	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8890	0.000	1	122.5188	1.071	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.9670	1.095	2	122.5188	1.071	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Se<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	122.8480	0.000	1	122.5188	1.071	5	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4460	0.000	1	123.6690	0.099	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	123.8920	0.000	1	123.6690	0.099	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4030	0.000	1	123.4030	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8950	0.395	2	121.8950	0.156	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8935	0.777	2	122.8935	0.604	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|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>}	122.5830	0.000	1	122.5830	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|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>}	122.7150	0.000	1	122.7150	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,2|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>}	122.1310	0.000	1	122.1310	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|C<4>,1|H<1>,3|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>}	122.4720	0.000	1	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	122.2795	0.431	2	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	122.1520	0.000	1	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	122.7350	0.000	1	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	121.9630	0.000	1	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	122.1670	0.275	6	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	122.5770	1.140	2	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	120.1350	0.000	1	122.1448	0.486	15	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.4490	0.000	1	121.4490	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH){1|C<3>,3|C<4>,3|H<1>}	121.7340	0.000	1	121.7340	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.0870	0.000	1	121.8935	0.075	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|H<1>,2|C<4>}	121.7000	0.000	1	121.8935	0.075	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.3470	0.000	1	123.5023	3.757	8	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.8990	2.771	4	123.5023	3.757	8	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.2350	0.139	2	123.5023	3.757	8	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.6050	0.000	1	123.5023	3.757	8	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.6280	0.000	1	124.6280	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.3250	0.000	1	124.3250	0.000	1	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.0780	0.421	2	123.0780	0.178	2	122.7685	1.055	161	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[4,6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H)	C[6,6a](C[6,6a]C[6a,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[4,6]C[4,6]2H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H){2|C<4>,2|H<1>,5|C<3>}	123.1265	0.218	2	123.1265	0.048	2	123.1265	0.048	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	123.4160	0.000	1	123.4160	0.000	1	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	122.6195	0.313	2	122.5807	0.054	3	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.5030	0.000	1	122.5807	0.054	3	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	124.2080	0.000	1	124.2080	0.000	1	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	124.6373	0.498	3	124.6373	0.248	3	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|H<1>,4|C<3>}	125.0140	0.000	1	125.0140	0.000	1	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	123.8460	0.000	1	123.8460	0.000	1	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	124.6010	0.000	1	124.6010	0.000	1	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|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>}	123.5748	0.493	6	123.5031	0.194	8	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,2|C<4>,4|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>}	123.2880	0.132	2	123.5031	0.194	8	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,2|C<3>,2|H<1>}	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>}	122.9220	0.000	1	123.1460	0.100	2	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,2|C<3>,2|C<4>}	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>}	123.3700	0.000	1	123.1460	0.100	2	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|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]CH){1|C<4>,2|H<1>,4|C<3>}	123.8040	0.000	1	123.8040	0.000	1	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	123.0410	0.212	2	123.0410	0.045	2	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	124.2300	0.000	1	123.1250	0.394	5	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	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>}	122.8487	0.126	4	123.1250	0.394	5	123.5368	0.559	29	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]){3|C<3>,3|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|Ga<4>,1|C<3>,1|C<4>,3|H<1>}	123.2460	0.256	2	123.2460	0.066	2	123.2460	0.066	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]BrO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|Br<1>,1|C<3>,1|N<4>,1|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]BrO){1|H<1>,2|C<4>,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>}	119.8040	0.000	1	119.8040	0.000	1	120.5250	0.921	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC){1|H<1>,2|C<3>,3|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>}	119.7850	0.000	1	119.7850	0.000	1	120.5250	0.921	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Cl<1>,1|C<3>,1|N<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2){1|H<1>,2|C<3>,3|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>}	120.6950	0.000	1	121.2555	0.628	2	120.5250	0.921	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Cl<1>,1|C<3>,1|N<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Cl2){2|C<3>,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>,4|C<4>}	121.8160	0.000	1	121.2555	0.628	2	120.5250	0.921	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|C<4>,1|H<1>,2|P<4>,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>}	118.0350	0.120	2	120.0247	2.244	16	120.0247	2.244	16	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|H<1>,2|C<3>,2|C<4>,2|P<4>}	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>}	120.3089	1.376	14	120.0247	2.244	16	120.0247	2.244	16	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|C<4>,1|H<1>,2|P<4>,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>,2|H<1>,4|C<3>}	119.7385	1.736	2	120.8150	2.550	4	120.8150	2.550	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3){1|C<4>,2|C<3>,2|H<1>,2|P<4>}	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>}	121.8915	0.036	2	120.8150	2.550	4	120.8150	2.550	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OO){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	120.8500	0.000	1	120.8500	0.000	1	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]O){1|C<4>,1|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|P<4>,2|C<3>,2|H<1>}	117.5960	0.000	1	117.5960	0.000	1	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S){1|C<4>,1|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|Br<1>,1|H<1>,1|P<4>,2|C<3>}	116.9200	0.000	1	116.9200	0.000	1	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]S[6]S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|S<1>,1|S<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]S[6]S){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|P<4>,2|H<1>}	121.0860	3.650	2	121.0860	13.323	2	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO){1|C<4>,1|H<1>,1|S<4>,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>}	117.8990	0.000	1	117.8990	0.000	1	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]NN){1|H<1>,2|C<3>,2|C<4>}	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>}	118.2280	0.000	1	118.2280	0.000	1	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO){1|C<4>,1|H<1>,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>}	119.8620	2.339	2	119.8580	2.736	3	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	119.8500	0.000	1	119.8580	2.736	3	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|C<4>,1|S<1>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OS){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>}	119.8010	0.000	1	119.8010	0.000	1	119.3673	4.039	11	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO)	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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO){1|H<1>,2|C<3>,2|C<4>}	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>}	118.7518	0.448	6	118.7518	0.201	6	118.8856	0.293	7	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	119.6880	0.000	1	119.6880	0.000	1	118.8856	0.293	7	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|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|S<4>,2|H<1>}	120.8530	0.000	1	120.8530	0.000	1	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<2>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<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>}	122.5570	0.000	1	122.4623	0.064	10	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,2|H<1>}	122.1070	0.000	1	122.4623	0.064	10	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<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>}	122.1890	0.000	1	122.4623	0.064	10	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<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>}	122.6290	0.000	1	122.4623	0.064	10	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<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>}	122.6320	0.485	2	122.4623	0.064	10	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<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>}	122.4693	0.128	4	122.4623	0.064	10	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	122.4222	0.494	4	122.4222	0.244	4	122.3443	0.264	15	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O){1|C<4>,1|H<1>,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>}	118.0140	0.000	1	118.1430	0.033	2	118.1430	0.033	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O){1|C<4>,1|H<1>,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>}	118.2720	0.000	1	118.1430	0.033	2	118.1430	0.033	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,4|C<4>}	124.9630	0.000	1	124.9630	0.000	1	124.9630	0.000	1	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	124.5047	0.630	3	124.5047	0.397	3	124.5047	0.397	3	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	122.3800	0.000	1	123.0310	0.848	2	123.0310	0.848	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.6820	0.000	1	123.0310	0.848	2	123.0310	0.848	2	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	122.4110	0.000	1	122.6020	0.073	2	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	122.7930	0.000	1	122.6020	0.073	2	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	124.2480	0.000	1	124.2480	0.000	1	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	123.9420	0.000	1	123.9420	0.000	1	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	124.3220	0.000	1	124.3220	0.000	1	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	123.6245	0.193	2	123.6245	0.037	2	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	124.8920	0.000	1	124.8920	0.000	1	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	124.1840	0.000	1	124.1840	0.000	1	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	124.3340	0.000	1	124.3340	0.000	1	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.5520	0.540	2	124.5520	0.292	2	123.9566	0.572	12	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6]){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	123.4600	0.000	1	123.4600	0.000	1	123.4600	0.000	1	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6]){3|H<1>,3|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH){1|B<4>,3|C<3>}	119.5685	0.568	4	119.5685	0.323	4	119.5685	0.323	4	122.4544	2.339	349	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a])	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:N[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[6]O[5]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[6]O[5]2){1|H<1>,1|N<4>,2|C<3>,2|C<4>,2|F<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|F<1>,6|H<1>}	125.9310	0.000	1	125.9310	0.000	1	125.9310	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){1|H<1>,3|C<3>,3|C<4>}	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>}	121.7110	0.150	2	121.7110	0.022	2	121.7110	0.022	2	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.5690	0.000	1	121.5690	0.000	1	121.5690	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6]){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){4|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	121.5145	0.330	2	121.5145	0.109	2	121.7272	1.066	18	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<3>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	122.4710	0.096	2	121.7538	1.194	16	121.7272	1.066	18	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<4>,2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	121.6514	1.134	14	121.7538	1.194	16	121.7272	1.066	18	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	122.2700	0.000	1	122.2700	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	123.4070	0.269	2	123.4070	0.072	2	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	122.8800	0.000	1	122.8800	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	124.2530	0.000	1	124.2530	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	124.0440	0.000	1	124.0440	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	123.8980	0.000	1	123.8980	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	118.0550	0.000	1	118.0550	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	123.5780	0.000	1	123.5780	0.000	1	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.8125	0.589	2	122.6640	0.300	4	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9980	0.000	1	122.6640	0.300	4	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0330	0.000	1	122.6640	0.300	4	122.8037	2.505	13	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	123.2210	0.000	1	123.2210	0.000	1	123.2210	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[5,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	123.5955	0.114	2	123.5955	0.013	2	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5790	0.335	2	122.7682	0.100	4	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.8100	0.000	1	122.7682	0.100	4	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1050	0.000	1	122.7682	0.100	4	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	122.3860	0.000	1	122.3860	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	122.0340	0.000	1	122.0340	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.4450	0.000	1	123.2865	0.050	2	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.1280	0.000	1	123.2865	0.050	2	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.5420	0.000	1	122.5420	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.0330	0.000	1	123.0330	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.7190	0.000	1	122.7190	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.5965	0.125	2	122.5965	0.016	2	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	123.7250	0.000	1	123.7250	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.4707	1.083	3	123.1382	0.794	5	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.6395	0.018	2	123.1382	0.794	5	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|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<3>,3|H<1>,4|C<4>}	123.0400	0.000	1	123.0400	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.9080	0.000	1	122.9080	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	122.7195	0.514	2	122.7195	0.264	2	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6]){1|Ru<9>,1|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru){2|Si<4>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	120.0040	0.000	1	120.0040	0.000	1	122.8289	0.633	26	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6]OO)(C[6a]C[6a]H){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>}	124.8520	0.000	1	124.8520	0.000	1	124.8520	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	123.2730	0.000	1	123.2730	0.000	1	123.7093	0.143	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	123.9275	0.035	2	123.9275	0.001	2	123.7093	0.143	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]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])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|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>}	122.8540	0.000	1	123.1562	0.271	5	123.1562	0.271	5	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]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])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){2|C<3>,3|C<4>,3|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>}	123.2318	0.569	4	123.1562	0.271	5	123.1562	0.271	5	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	121.8950	0.851	5	121.8950	0.725	5	121.8935	0.580	6	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.8860	0.000	1	121.8860	0.000	1	121.8935	0.580	6	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	123.5480	0.000	1	123.5480	0.000	1	124.5325	1.938	2	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	125.5170	0.000	1	125.5170	0.000	1	124.5325	1.938	2	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.3920	0.000	1	123.3920	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.1590	0.000	1	123.1590	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H){1|H<1>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|C<4>,5|C<3>}	121.7530	0.000	1	121.7530	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	122.1647	0.305	3	122.1647	0.093	3	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	122.6320	0.000	1	122.6320	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	122.8930	0.000	1	123.2145	0.207	2	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.5360	0.000	1	123.2145	0.207	2	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	123.5400	0.000	1	123.5400	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.6120	0.000	1	124.0018	0.456	20	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	124.0273	0.707	18	124.0018	0.456	20	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.9320	0.000	1	124.0018	0.456	20	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.1395	1.548	2	122.1395	2.396	2	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	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>}	123.8070	0.000	1	123.8070	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	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>}	121.4360	0.000	1	121.4360	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.7250	0.000	1	123.7250	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,3|C<3>,4|H<1>}	123.2650	0.000	1	123.2650	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.8050	0.000	1	122.8050	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	124.2840	0.000	1	123.5895	0.239	10	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.9985	0.165	2	123.5895	0.239	10	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	123.2277	0.596	3	123.5895	0.239	10	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	123.6730	0.000	1	123.5895	0.239	10	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.4193	0.232	3	123.5895	0.239	10	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|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|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.6650	0.000	1	123.6650	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,1|N<3>,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|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3260	0.000	1	122.3260	0.000	1	123.4377	0.777	50	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	124.1677	0.612	3	124.1677	0.375	3	124.0137	1.026	14	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	122.9930	1.640	3	122.9930	2.689	3	124.0137	1.026	14	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	124.1612	0.365	5	124.0408	0.193	6	124.0137	1.026	14	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){3|C<3>,3|C<4>,4|H<1>}	123.4390	0.000	1	124.0408	0.193	6	124.0137	1.026	14	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,4|C<3>}	125.2325	0.276	2	125.2325	0.076	2	124.0137	1.026	14	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){2|C<4>,4|C<3>,4|H<1>}	123.9090	0.000	1	123.9090	0.000	1	123.7937	0.023	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	123.8510	0.000	1	123.8510	0.000	1	123.7937	0.023	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)	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])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,1|S<4>,2|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>}	123.6210	0.000	1	123.6210	0.000	1	123.7937	0.023	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|Cl<1>,1|C<3>,1|N<4>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO){2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<4>,1|C<3>,4|C<4>}	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[5,6]IO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|I<1>,1|N<4>,1|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[5,6]IO){2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<4>,1|C<3>,4|C<4>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]N[6]2)	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])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]N[6]2){1|H<1>,2|C<3>,2|C<4>,2|P<4>}	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>}	122.3820	0.000	1	122.3820	0.000	1	122.3820	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	122.1497	0.474	4	122.1497	0.225	4	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	122.0580	0.000	1	122.0580	0.000	1	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	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>}	122.5690	0.000	1	122.5690	0.000	1	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|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<3>,1|S<4>,2|C<4>,3|H<1>}	122.7130	0.000	1	122.7015	0.000	2	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	122.6900	0.000	1	122.7015	0.000	2	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	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>}	122.9010	0.000	1	122.8047	0.072	4	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	123.1020	0.000	1	122.8047	0.072	4	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	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>}	122.6080	0.205	2	122.8047	0.072	4	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	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>}	122.1700	0.000	1	122.4305	0.136	2	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	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>}	122.6910	0.000	1	122.4305	0.136	2	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,1|P<4>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	119.4590	0.000	1	119.4590	0.000	1	122.2779	0.763	15	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	124.5380	0.000	1	124.5380	0.000	1	124.5380	0.000	1	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	125.0500	0.000	1	125.0500	0.000	1	125.0233	0.023	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,4|C<3>}	125.0100	0.211	2	125.0100	0.044	2	125.0233	0.023	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	124.0670	0.000	1	124.0670	0.000	1	124.2338	0.035	4	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H){1|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	124.1840	0.023	2	124.1840	0.001	2	124.2338	0.035	4	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|H<1>,2|C<3>,2|C<4>}	124.5000	0.000	1	124.5000	0.000	1	124.2338	0.035	4	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	123.0535	0.172	2	123.0535	0.030	2	123.3803	0.335	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	124.0340	0.000	1	124.0340	0.000	1	123.3803	0.335	3	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,5|C<3>}	123.9210	0.161	2	123.9210	0.026	2	123.9210	0.026	2	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	125.6610	0.164	2	124.8632	0.860	4	124.6374	0.900	5	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	124.0655	0.083	2	124.8632	0.860	4	124.6374	0.900	5	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	123.7340	0.000	1	123.7340	0.000	1	124.6374	0.900	5	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	124.6022	0.752	4	124.4958	0.367	6	124.2676	0.593	9	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	124.2830	0.071	2	124.4958	0.367	6	124.2676	0.593	9	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	123.2510	0.301	2	123.8110	0.986	3	124.2676	0.593	9	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	124.9310	0.000	1	123.8110	0.986	3	124.2676	0.593	9	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	123.7330	0.000	1	123.7330	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	123.3770	0.000	1	123.3770	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	123.5550	0.000	1	123.5550	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	124.5775	0.097	4	124.6121	0.108	7	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	124.6583	0.552	3	124.6121	0.108	7	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.8335	0.118	2	123.8335	0.014	2	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.6870	0.000	1	124.6870	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.0870	0.000	1	122.0870	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	124.4830	0.010	2	124.4830	0.000	2	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,4|C<3>}	123.1960	0.000	1	123.1960	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]OO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]OO){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.8400	0.000	1	122.8400	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	124.8540	0.000	1	124.8540	0.000	1	124.0656	0.624	19	123.2273	1.567	212	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6]){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.2560	0.000	1	121.2560	0.000	1	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	122.0670	0.000	1	122.0670	0.000	1	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.3560	0.000	1	121.3560	0.000	1	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4590	0.000	1	121.4590	0.000	1	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.6640	0.000	1	123.6640	0.000	1	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	120.9950	0.000	1	121.0275	0.002	2	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.0600	0.000	1	121.0275	0.002	2	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.4470	0.000	1	120.4470	0.000	1	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.7920	0.000	1	122.5010	0.169	2	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	122.2100	0.000	1	122.5010	0.169	2	121.7306	0.921	10	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.6207	0.964	3	119.6207	0.929	3	119.5592	1.693	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.4560	0.000	1	118.4560	0.000	1	119.5592	1.693	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.5930	0.000	1	121.5930	0.000	1	119.5592	1.693	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	118.4440	0.000	1	118.4440	0.000	1	119.5592	1.693	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	123.2990	0.000	1	123.2990	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	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>}	122.7980	0.000	1	122.7980	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.8540	0.000	1	123.8540	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	123.7510	1.310	2	123.7510	1.715	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.6630	0.197	2	123.6027	0.030	3	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|C<4>,5|H<1>}	123.4820	0.000	1	123.6027	0.030	3	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	122.8400	0.000	1	122.8400	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.6160	0.000	1	123.6160	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	123.0888	0.179	5	123.0888	0.032	5	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]N)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<4>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]N){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>,2|C<4>,5|H<1>}	122.2830	0.000	1	122.2830	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	122.3730	0.083	2	122.3730	0.007	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	123.5530	0.000	1	122.5410	0.839	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	122.8280	0.000	1	122.5410	0.839	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	121.8915	0.753	2	122.5410	0.839	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	123.0210	0.000	1	123.0210	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|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|C<4>,3|C<3>,3|H<1>}	121.6440	0.000	1	122.1358	0.253	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|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|C<4>,3|C<3>,4|H<1>}	122.8380	0.000	1	122.1358	0.253	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|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|C<4>,3|C<3>,4|H<1>}	122.0520	0.000	1	122.1358	0.253	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|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|C<4>,3|H<1>,4|C<3>}	122.0090	0.000	1	122.1358	0.253	4	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.8290	0.000	1	122.8290	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	122.7380	0.000	1	122.5870	0.046	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	122.4360	0.000	1	122.5870	0.046	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	122.6910	0.000	1	122.6910	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	123.3880	0.000	1	123.0300	0.256	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	122.6720	0.000	1	123.0300	0.256	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.5440	0.139	2	122.5440	0.019	2	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.2240	0.000	1	122.2240	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,2|H<1>,3|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>}	121.9130	0.000	1	121.9130	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|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>}	121.9960	0.000	1	121.9960	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|H<1>,1|O<2>,2|C<4>,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|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.1930	0.000	1	123.1930	0.000	1	122.8227	0.438	39	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	122.3950	0.000	1	122.3950	0.000	1	122.3610	0.002	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.3270	0.000	1	122.3270	0.000	1	122.3610	0.002	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.7740	0.000	1	120.7740	0.000	1	121.1780	0.326	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.5820	0.000	1	121.5820	0.000	1	121.1780	0.326	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO)	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.9005	0.390	2	120.9005	0.152	2	120.9005	0.152	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	120.9670	0.000	1	120.9670	0.000	1	120.9670	0.000	1	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	121.0100	0.000	1	121.0100	0.000	1	121.0100	0.000	1	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	123.9035	0.203	2	123.9035	0.041	2	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	123.7560	0.000	1	123.7560	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	124.2300	0.000	1	124.2300	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	123.6810	0.000	1	123.6810	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	122.3600	0.000	1	122.3600	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.5390	0.000	1	121.5390	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	121.4170	0.208	2	121.5679	1.167	8	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.6182	1.270	6	121.5679	1.167	8	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.6910	0.000	1	122.4104	0.083	7	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.9630	0.000	1	122.4104	0.083	7	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	122.3630	0.267	3	122.4104	0.083	7	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	122.6710	0.000	1	122.4104	0.083	7	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	122.4590	0.000	1	122.4104	0.083	7	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.5060	0.000	1	122.5060	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	122.4180	0.929	2	122.4180	0.863	2	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.8180	0.000	1	121.8180	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.5610	0.000	1	122.5610	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.0060	0.000	1	122.0060	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	119.8910	0.000	1	121.5147	1.979	3	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	122.2830	0.000	1	121.5147	1.979	3	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.3700	0.000	1	121.5147	1.979	3	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	120.2910	0.000	1	122.4045	1.998	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	123.2150	0.000	1	122.4045	1.998	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	123.1610	0.000	1	122.4045	1.998	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	122.9510	0.000	1	122.4045	1.998	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	123.0950	0.000	1	123.2798	0.518	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	122.9480	0.000	1	123.2798	0.518	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	123.5380	1.130	2	123.2798	0.518	4	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	123.4780	0.000	1	123.1133	0.127	3	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.9310	0.233	2	123.1133	0.127	3	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.9740	0.000	1	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.4630	0.427	4	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	123.1310	0.000	1	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	122.3090	0.737	2	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	122.4530	0.000	1	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.6220	0.000	1	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.3577	0.664	3	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	123.3800	0.276	2	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	123.0190	0.011	2	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.3975	0.054	2	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	122.6240	0.000	1	122.3970	0.579	20	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.0840	0.047	2	122.3120	0.134	5	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.4640	0.425	3	122.3120	0.134	5	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	122.8800	0.000	1	122.8800	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	123.1170	0.000	1	123.1170	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	122.6330	0.000	1	122.6330	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.8160	0.000	1	122.8160	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.9510	0.000	1	123.9510	0.000	1	122.4727	0.860	72	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.4693	0.269	4	123.4693	0.072	4	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	121.5160	0.000	1	121.5160	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	124.3780	0.000	1	124.3780	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	122.5930	0.000	1	123.2982	0.254	4	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	123.3220	0.000	1	123.2982	0.254	4	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	123.6390	0.177	2	123.2982	0.254	4	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	123.7380	0.365	3	123.7380	0.133	3	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	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)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	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>}	121.2440	0.000	1	121.2440	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.3230	0.317	2	123.0223	0.365	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	123.6860	0.000	1	123.0223	0.365	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	122.6007	0.533	3	123.0223	0.365	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.4925	0.476	2	123.4925	0.226	2	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	123.6050	0.000	1	123.2553	0.687	3	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	123.0805	1.091	2	123.2553	0.687	3	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	122.9215	0.125	2	123.2758	0.218	4	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	123.6300	0.368	2	123.2758	0.218	4	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.3720	0.000	1	123.3720	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.5430	0.000	1	123.5397	0.163	7	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	123.1200	0.000	1	123.5397	0.163	7	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	123.6400	0.000	1	123.5397	0.163	7	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.8175	0.622	2	123.5397	0.163	7	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	123.4200	0.470	2	123.5397	0.163	7	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	123.9770	0.000	1	123.9770	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.2940	0.000	1	124.2940	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|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|Br<1>,2|C<3>,2|C<4>,3|H<1>}	123.0380	0.304	2	123.0115	0.533	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|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){2|C<3>,2|C<4>,4|H<1>}	123.6040	0.000	1	123.0115	0.533	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|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){2|C<3>,3|C<4>,3|H<1>}	123.0320	0.000	1	123.0115	0.533	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|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|S<3>,2|C<3>,2|C<4>,2|H<1>}	122.6785	1.414	2	123.0115	0.533	6	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	122.7580	0.000	1	122.7580	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	123.5370	0.000	1	123.5370	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	122.5820	0.386	2	123.1671	1.201	12	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	123.5850	0.000	1	123.1671	1.201	12	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	123.7050	0.266	5	123.1671	1.201	12	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.6827	1.782	4	123.1671	1.201	12	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	123.1240	0.136	2	123.1240	0.018	2	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.1640	0.000	1	124.1640	0.000	1	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	126.1470	0.079	2	126.1470	0.006	2	123.3579	0.821	64	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[3,6]OO)	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[3,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){2|C<3>,3|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	121.5225	0.028	2	121.5225	0.001	2	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6]OO)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	117.4560	0.000	1	117.4560	0.000	1	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6a]N[5,6]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>}	121.3915	0.287	4	121.3915	0.082	4	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	118.0410	0.000	1	118.0410	0.000	1	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	121.6710	0.000	1	120.8500	1.291	3	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.3260	0.000	1	120.8500	1.291	3	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	119.5530	0.000	1	120.8500	1.291	3	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	120.7325	1.262	2	120.7325	1.593	2	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	122.1440	0.000	1	122.1440	0.000	1	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	122.5860	0.000	1	122.5860	0.000	1	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6]){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|S<4>}	122.6790	0.000	1	122.6790	0.000	1	120.9707	2.249	16	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	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)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	122.7830	0.000	1	122.7830	0.000	1	121.1397	8.391	3	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	122.8410	0.000	1	122.8410	0.000	1	121.1397	8.391	3	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:S[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO){1|C<4>,1|H<1>,3|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>}	117.7950	0.000	1	117.7950	0.000	1	121.1397	8.391	3	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	125.2210	0.000	1	125.2210	0.000	1	125.7527	1.038	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	126.2947	0.860	3	126.2690	0.496	4	125.7527	1.038	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	126.1920	0.000	1	126.2690	0.496	4	125.7527	1.038	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	124.2190	0.000	1	124.2190	0.000	1	125.7527	1.038	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	124.5585	0.149	2	124.5585	0.022	2	125.0729	0.133	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	125.0330	0.000	1	125.0330	0.000	1	125.0729	0.133	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|C<2>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	125.4005	0.086	2	125.2866	0.038	5	125.0729	0.133	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	125.2520	0.000	1	125.2866	0.038	5	125.0729	0.133	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){3|C<4>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	125.1900	0.315	2	125.2866	0.038	5	125.0729	0.133	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H)	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	123.7700	0.062	2	123.7700	0.004	2	123.7700	0.004	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	124.9733	0.154	6	124.9733	0.024	6	124.9733	0.024	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	124.0370	0.000	1	124.0370	0.000	1	123.5545	0.250	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	123.3430	0.000	1	123.3090	0.175	4	123.5545	0.250	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	123.5020	0.523	2	123.3090	0.175	4	123.5545	0.250	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){4|C<4>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	122.8890	0.000	1	123.3090	0.175	4	123.5545	0.250	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	124.0540	0.000	1	124.0540	0.000	1	123.5545	0.250	6	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	124.1380	0.157	2	124.1380	0.025	2	124.1380	0.025	2	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	125.8210	0.000	1	125.8210	0.000	1	124.5854	0.331	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	124.8700	0.000	1	124.8700	0.000	1	124.5854	0.331	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){1|C<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,2|C<4>,4|C<3>}	124.3020	0.000	1	124.2203	0.053	4	124.5854	0.331	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){2|C<4>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,5|C<3>}	124.1930	0.273	3	124.2203	0.053	4	124.5854	0.331	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:4:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	124.5555	0.127	2	124.5555	0.016	2	124.5854	0.331	8	122.8302	2.173	260	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:5:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6,6]-5:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6,6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,3|C<4>}	123.5600	0.000	1	123.5600	0.000	1	123.1955	0.266	2	123.1955	0.266	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:5:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Ga[6,6]-5:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]Cl){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,1|C<4>,2|H<1>}	122.8310	0.000	1	122.8310	0.000	1	123.1955	0.266	2	123.1955	0.266	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[4,6]-5:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(In[4,6]N[6]O[4]2I)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[4,6]){1|C<3>,1|I<1>,1|N<4>,2|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[4,6]N[6]O[4]2I){1|In<5>,2|C<3>,3|C<4>,3|H<1>}	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>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.3812	0.837	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:In[6]-5:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Br2O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Br<1>,1|C<3>,1|N<4>,1|O<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]Br2O){1|H<1>,2|C<4>,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>}	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	120.3812	0.837	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:5:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-5:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]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)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	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>}	119.6410	0.245	2	119.6410	0.060	2	119.6410	0.060	2	120.3812	0.837	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:5:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6]){1|C<3>,1|N<3>,3|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	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>}	114.4325	0.361	2	114.4325	0.131	2	114.4325	0.131	2	114.4325	0.131	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:6:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Nb[6,6]-6:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6]){1|C<3>,1|N<2>,1|N<4>,1|O<2>,2|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN){4|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	119.7490	2.846	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:6:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Nb[6]-6:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6])	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6]N[6]Cl2OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6]N[6]Cl2OO){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Nb<6>,2|C<3>,2|C<4>}	118.5560	0.000	1	118.5560	0.000	1	118.5560	0.000	1	119.7490	2.846	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	3:6:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:Nb[6,6]-6:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6])	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6]){1|C<3>,1|N<2>,1|N<4>,1|O<2>,3|H<1>,3|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]N[6]2O[6]NN){4|C<4>,5|C<3>}	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>}	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	119.8363	2.915	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	120.4530	0.000	1	119.4455	2.030	2	119.4455	2.030	2	119.8363	2.915	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	118.4380	0.000	1	119.4455	2.030	2	119.4455	2.030	2	119.8363	2.915	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.4800	0.000	1	118.4800	0.000	1	118.4800	0.000	1	119.8363	2.915	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[4,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6])	O[6](C[4,6]C[4,6]2C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[4,6]C[4,6]2C[6a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[3x6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[3x6])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[3x6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.8000	0.431	2	121.8000	0.186	2	122.5351	0.412	8	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[3x6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	122.7802	0.501	6	122.7802	0.251	6	122.5351	0.412	8	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.7570	0.000	1	121.7570	0.000	1	121.7493	0.032	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	121.9230	0.000	1	121.9230	0.000	1	121.7493	0.032	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	121.5680	0.000	1	121.5680	0.000	1	121.7493	0.032	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]N[5a,6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O[6](B[5,6]C[5,6a]N[5a,6]O[5])(C[6,6a]C[6,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	122.1400	0.751	2	122.1400	0.564	2	122.1400	0.564	2	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]C[5,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,2|H<1>,4|C<3>}	O[6](B[5,6]C[5,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	O[6](B[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[6](B[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|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]N[5,6]C[6a]){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	121.9825	0.487	2	121.9825	0.237	2	121.9825	0.237	2	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.0730	0.000	1	121.0730	0.000	1	121.5540	1.262	4	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|F<1>,1|O<2>,2|H<1>,2|N<3>}	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	120.9600	0.250	2	120.9600	0.063	2	121.5540	1.262	4	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	123.2230	0.000	1	123.2230	0.000	1	121.5540	1.262	4	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	123.9120	0.000	1	123.9120	0.000	1	123.9120	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	123.0290	0.000	1	123.0290	0.000	1	122.4220	0.278	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	122.1600	0.000	1	122.1600	0.000	1	122.4220	0.278	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	122.0770	0.000	1	122.0770	0.000	1	122.4220	0.278	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,2|H<1>,4|C<3>}	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	122.2005	0.795	2	122.2005	0.633	2	121.3732	0.579	12	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	121.3358	0.620	6	121.2078	0.455	10	121.3732	0.579	12	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	121.0157	0.802	4	121.2078	0.455	10	121.3732	0.579	12	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6a]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	120.3480	0.000	1	120.3480	0.000	1	119.9210	0.320	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6a]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	119.7075	0.606	2	119.7075	0.367	2	119.9210	0.320	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6a]C[3x6]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){2|C<4>,2|H<1>,3|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]2)(C[6,6a]C[6,6a]C[6a]){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	119.9460	0.000	1	119.9460	0.000	1	120.5390	0.273	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	120.8355	0.138	2	120.8355	0.019	2	120.5390	0.273	3	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O){2|C<4>,2|H<1>,4|C<3>}	124.2600	0.000	1	124.2600	0.000	1	124.2600	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[4x6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[3x6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[4x6]){2|H<1>,5|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[3x6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	124.4195	0.069	2	124.4195	0.005	2	124.4195	0.005	2	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5770	0.000	1	121.5770	0.000	1	121.1997	0.688	6	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7560	0.000	1	120.7560	0.000	1	121.1997	0.688	6	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.7250	0.000	1	121.4130	1.318	3	121.1997	0.688	6	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.5930	0.000	1	121.4130	1.318	3	121.1997	0.688	6	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	120.9210	0.000	1	121.4130	1.318	3	121.1997	0.688	6	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.6260	0.000	1	120.6260	0.000	1	121.1997	0.688	6	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){2|H<1>,2|O<2>,3|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.3637	0.558	3	121.3637	0.311	3	121.1500	0.390	4	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.5090	0.000	1	120.5090	0.000	1	121.1500	0.390	4	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	124.4410	0.000	1	124.4410	0.000	1	124.4410	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.7550	0.000	1	122.7550	0.000	1	123.3285	0.658	2	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.9020	0.000	1	123.9020	0.000	1	123.3285	0.658	2	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.2507	0.292	3	122.3623	0.107	4	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	122.6970	0.000	1	122.3623	0.107	4	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.8350	0.000	1	120.8350	0.000	1	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.8720	1.534	2	118.8720	2.354	2	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6760	0.180	2	120.6760	0.032	2	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.1060	0.000	1	121.1060	0.000	1	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	122.1420	0.000	1	121.5965	0.310	6	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.7043	0.645	3	121.5965	0.310	6	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.1620	0.065	2	121.5965	0.310	6	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.0995	0.719	2	123.0995	0.517	2	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	119.8610	0.000	1	119.8610	0.000	1	121.3750	1.726	19	121.7447	1.589	83	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|C<3>,4|H<1>}	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	124.2370	0.048	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|P<4>,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>}	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.2370	0.048	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,5|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>}	121.4560	0.099	2	121.4560	0.010	2	121.4560	0.010	2	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	118.6840	2.001	2	118.6840	4.004	2	118.6840	4.004	2	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6]){2|C<4>,3|H<1>,5|C<3>}	123.6245	0.619	2	123.6245	0.383	2	123.6245	0.383	2	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	120.9330	0.416	2	120.9330	0.173	2	120.2344	5.304	13	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	119.4670	2.312	2	120.1936	6.499	5	120.2344	5.304	13	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	120.6780	3.073	3	120.1936	6.499	5	120.2344	5.304	13	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.9887	0.252	3	118.3397	0.535	4	120.2344	5.304	13	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.3930	0.000	1	118.3397	0.535	4	120.2344	5.304	13	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.4270	0.376	2	123.4270	0.142	2	120.2344	5.304	13	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	123.6090	3.196	2	123.6090	10.215	2	123.6090	10.215	2	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|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]O[6]){1|C<4>,3|H<1>,6|C<3>}	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.7120	0.000	1	122.7120	0.000	1	123.3373	0.335	3	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.6500	0.288	2	123.6500	0.083	2	123.3373	0.335	3	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6a]C[6,6a]C[6a]){2|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.2880	0.000	1	123.2880	0.000	1	122.7328	0.188	6	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	122.5500	0.059	2	122.5500	0.004	2	122.7328	0.188	6	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.2730	0.000	1	123.2730	0.000	1	122.7328	0.188	6	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.3680	0.047	2	122.3680	0.002	2	122.7328	0.188	6	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,3|C<3>,4|C<4>}	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,4|H<1>,5|C<3>}	123.2700	0.000	1	123.2700	0.000	1	122.8070	0.171	3	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	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])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|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>}	122.5755	0.142	2	122.5755	0.020	2	122.8070	0.171	3	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	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])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|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>}	123.4420	0.458	2	123.4420	0.210	2	123.4420	0.210	2	121.8177	4.876	37	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	122.9730	0.000	1	122.9730	0.000	1	122.8090	0.188	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	122.9590	0.000	1	122.9590	0.000	1	122.8090	0.188	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.3895	0.271	2	122.3895	0.073	2	122.8090	0.188	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.3340	0.000	1	123.3340	0.000	1	122.8090	0.188	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6])	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.8460	0.000	1	122.8460	0.000	1	122.1325	1.018	2	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6])	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O){1|H<1>,3|C<3>,5|C<4>}	121.4190	0.000	1	121.4190	0.000	1	122.1325	1.018	2	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[4,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|H<1>,4|C<4>}	122.9290	0.000	1	122.9290	0.000	1	122.1858	0.191	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	121.9400	0.219	2	122.0000	0.024	4	122.1858	0.191	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	122.1340	0.000	1	122.0000	0.024	4	122.1858	0.191	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	121.9860	0.000	1	122.0000	0.024	4	122.1858	0.191	5	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.4335	0.025	2	122.4335	0.001	2	122.4335	0.001	2	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	121.8400	0.000	1	121.8400	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.5910	0.000	1	123.3973	0.102	3	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.5730	0.000	1	123.3973	0.102	3	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	123.0280	0.000	1	123.3973	0.102	3	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|O<2>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.8470	0.065	2	121.8470	0.004	2	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.9430	0.000	1	121.9430	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.0160	0.000	1	122.0160	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.9090	0.000	1	121.9090	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.8170	0.000	1	121.8170	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	122.6710	0.000	1	122.6710	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.0190	0.000	1	121.0190	0.000	1	122.2584	0.618	12	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,6,6]C[4]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	120.0830	1.324	3	120.0830	1.752	3	120.0830	1.752	3	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.2790	0.000	1	122.2790	0.000	1	121.7047	0.279	3	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	121.4175	0.251	2	121.4175	0.063	2	121.7047	0.279	3	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	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[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	123.8585	0.211	2	123.8585	0.045	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.6130	0.000	1	122.6130	0.000	1	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	122.6610	0.000	1	122.6610	0.000	1	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.2575	0.011	2	123.2575	0.000	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	122.7360	0.836	3	122.3800	0.358	10	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.2482	0.503	6	122.3800	0.358	10	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.1030	0.000	1	122.3800	0.358	10	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.0350	0.000	1	122.7395	0.175	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	122.4440	0.000	1	122.7395	0.175	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	123.4000	0.000	1	123.4000	0.000	1	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.9435	0.042	2	122.8917	0.009	3	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.7880	0.000	1	122.8917	0.009	3	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	123.1450	0.000	1	123.0915	0.006	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	123.0380	0.000	1	123.0915	0.006	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|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>}	121.8435	0.327	2	121.8435	0.107	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.0360	0.000	1	122.0510	0.016	5	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	122.2640	0.000	1	122.0510	0.016	5	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.9850	0.060	3	122.0510	0.016	5	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.7230	0.000	1	121.7305	0.000	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.7380	0.000	1	121.7305	0.000	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.9935	0.228	2	121.9935	0.052	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,3|C<3>,3|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|Br<1>,1|C<4>,2|C<3>,4|H<1>}	122.8910	0.000	1	122.8910	0.000	1	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,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>}	122.5685	0.060	2	122.5685	0.004	2	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	122.2100	0.000	1	122.2100	0.000	1	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|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>}	123.6750	0.230	4	123.6750	0.053	4	122.6365	0.464	43	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.6545	0.988	2	122.6545	0.976	2	122.9170	0.471	4	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.1795	0.404	2	123.1795	0.163	2	122.9170	0.471	4	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	4:3:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a])	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6]){1|C<4>,3|H<1>,6|C<3>}	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a]){1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	122.3296	0.996	84	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[3x6]-5:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]Ga[3x6])	O[6](Ga[3x6]N[5a,6,6]2N[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]Ga[3x6]){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	O[6](Ga[3x6]N[5a,6,6]2N[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,9|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<5>,1|O<2>,2|H<1>,3|C<3>}	125.8515	0.120	2	125.8515	0.014	2	125.8515	0.014	2	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[3x6])	O[6](Ga[3x6]N[6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[3x6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	O[6](Ga[3x6]N[6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	121.9290	0.868	2	121.9290	0.754	2	121.9290	0.754	2	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<4>,1|O<2>,2|N<3>,3|H<1>}	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,1|C<4>,2|H<1>}	122.7130	0.000	1	122.7130	0.000	1	122.7130	0.000	1	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6])	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4930	0.488	2	121.3875	0.107	4	121.7170	0.598	6	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6])	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]C)(O[6]Ge[3x6]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,1|H<1>,2|C<4>,3|C<3>}	121.2820	0.197	2	121.3875	0.107	4	121.7170	0.598	6	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Ge[3x6])	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Ge[3x6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,3|C<3>,3|H<1>}	122.3760	1.170	2	122.3760	1.368	2	121.7170	0.598	6	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6])	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,3|C<3>,3|H<1>}	120.9875	1.501	2	120.9875	2.254	2	121.2360	1.340	4	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6])	O[6](Si[3x6]N[5a,6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	O[6](Si[3x6]N[5a,6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,3|C<3>,3|H<1>}	121.4845	1.232	2	121.4845	1.519	2	121.2360	1.340	4	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[5,6])	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[5,6]){1|Si<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	122.1317	2.833	16	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<3>,1|O<2>,2|N<4>,4|H<1>}	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,4|C<3>,4|C<4>}	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>}	121.9070	0.955	2	121.9070	0.911	2	122.3640	1.082	3	122.3640	1.082	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<4>,2|N<3>,2|O<2>,3|H<1>}	O[6](Ga[6,6]N[5]N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	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>}	123.2780	0.000	1	123.2780	0.000	1	122.3640	1.082	3	122.3640	1.082	3	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[5,6])	O[6](Ga[5,6]N[5,6]O[5]OO)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|C<3>,1|N<4>,1|O<3>,2|O<2>,4|H<1>}	O[6](Ga[5,6]N[5,6]O[5]OO)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,2|C<4>,2|H<1>}	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	120.4500	1.785	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6])	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6]){2|Cl<1>,1|C<3>,2|N<4>,4|H<1>}	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	119.8685	0.241	2	119.7880	0.049	3	119.7880	0.049	3	120.4500	1.785	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6])	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6]){2|Cl<1>,1|C<3>,2|N<4>,4|H<1>}	O[6](In[5,6]N[5,6]N[5]Cl2)(C[6,6a]C[6,6a]C[6a]){2|C<3>,7|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	119.6270	0.000	1	119.7880	0.049	3	119.7880	0.049	3	120.4500	1.785	4	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	5:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[3x6]-5:C[6,6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]C)(O[6]In[3x6])	O[6](In[3x6]N[6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](P[6]N[6,6]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]C)(O[6]In[3x6]){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[6](In[3x6]N[6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){2|P<4>,3|C<3>,3|C<4>}	C[6,6a](P[6]N[6,6]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|In<5>,3|C<4>,5|C<3>}	121.9250	1.925	2	121.9250	3.705	2	121.9250	3.705	2	121.9250	3.705	2	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	6:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Ga[6x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6])	O[6](Ga[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](Ga[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,2|H<1>}	123.6160	0.489	3	123.6160	0.239	3	123.6160	0.239	3	123.4956	0.986	8	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	6:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	In[6x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]In[6x6])	O[6](In[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]In[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	O[6](In[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,1|C<4>,2|H<1>}	124.3243	0.365	3	124.3243	0.133	3	124.3243	0.133	3	123.4956	0.986	8	121.9693	2.318	3980	121.8445	2.336	4443
643	622	643	6:SP2_SP2_SP2	C[6,6a]	O[6]	C[6,6a]	3:3:2:	6:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6,6])	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6,6]){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	O[6](Si[6,6]C[6a]N[6]2O[6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<6>,1|C<3>,1|C<4>,2|H<1>}	122.0720	0.064	2	122.0720	0.004	2	122.0720	0.004	2	123.4956	0.986	8	121.9693	2.318	3980	121.8445	2.336	4443