622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	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]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	123.9713	16.296	3	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[5,6]C[5,6a]2N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	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[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>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	126.2930	0.501	2	126.2930	0.251	2	126.2930	0.251	2	123.9713	16.296	3	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	3:4:	3:3:2:	4:2:2:2:	C[6,6a]-3:B[5,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O[5]-2:O[5]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[5,6]C[6]O[5]2)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[6]N[5,6]FF)(O[6]C[6,6a])(O[5]C[5])2	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]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>}	B[5,6](C[6]N[5,6]FF)(O[6]C[6,6a])(O[5]C[5])2{2|C<3>,6|C<4>}	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	4:3:	3:3:2:	3:3:2:2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	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[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	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[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>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	123.1385	0.603	2	123.1385	0.364	2	123.1385	0.364	2	119.3413	19.437	4	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	4:3:	3:3:2:	3:3:2:2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:O[6]-2:O[5]-2:	O[6](B[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	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[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>}	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	115.5440	0.519	2	115.5440	0.269	2	115.5440	0.269	2	119.3413	19.437	4	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	4:3:	3:3:2:	3:3:3:2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	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[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>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|O<2>,2|H<1>,8|C<3>}	125.9570	0.000	1	124.0080	6.098	3	124.0080	6.098	3	123.2452	6.392	4	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	4:3:	3:3:2:	3:3:3:2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	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[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>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|S<2>,2|H<1>,8|C<3>}	124.8360	0.000	1	124.0080	6.098	3	124.0080	6.098	3	123.2452	6.392	4	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	4:3:	3:3:2:	3:3:3:2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	O[6](B[5,6]C[5,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	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[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>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|N<3>,2|H<1>,8|C<3>}	121.2310	0.000	1	124.0080	6.098	3	124.0080	6.098	3	123.2452	6.392	4	122.0876	14.250	12	122.0876	14.250	12
622	643	786	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5,6]	4:3:	3:3:2:	3:3:3:2:	B[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	O[6](B[5,6]C[5,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	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[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,2|H<1>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	123.2452	6.392	4	122.0876	14.250	12	122.0876	14.250	12
622	643	811	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6a]	4:3:	3:3:2:	3:3:2:2:	B[6,6a]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	120.1945	0.320	2	119.8677	0.372	3	119.8677	0.372	3	119.8677	0.372	3	119.8677	0.372	3	119.8677	0.372	3
622	643	811	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6a]	4:3:	3:3:2:	3:3:2:2:	B[6,6a]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	119.2140	0.000	1	119.8677	0.372	3	119.8677	0.372	3	119.8677	0.372	3	119.8677	0.372	3	119.8677	0.372	3
622	643	818	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:O[6]-2:C[5]-4:	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]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)	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]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	116.1050	0.000	1	116.1050	0.000	1	115.6055	0.499	2	115.6055	0.499	2	115.7488	0.537	4	115.7488	0.537	4
622	643	818	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:O[6]-2:C[5]-4:	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]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	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]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.1060	0.000	1	115.1060	0.000	1	115.6055	0.499	2	115.6055	0.499	2	115.7488	0.537	4	115.7488	0.537	4
622	643	818	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	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]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	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]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	115.7488	0.537	4	115.7488	0.537	4
622	643	818	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:C[5]-3:	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[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C)	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[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>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C){1|N<2>,1|O<2>,4|C<3>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	115.7488	0.537	4	115.7488	0.537	4
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	2:2:3:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	121.6167	3.558	6	122.7056	10.360	10	122.7056	10.360	10	122.7056	10.360	10	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	2:2:3:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	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]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.3390	2.013	4	122.7056	10.360	10	122.7056	10.360	10	122.7056	10.360	10	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	2:3:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2	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[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>}	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	119.0675	0.021	2	119.0675	0.000	2	121.9503	6.306	6	121.9503	6.306	6	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	2:3:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	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]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{1|N<2>,2|C<3>,2|H<1>,4|N<3>}	124.4610	0.000	1	123.3918	2.200	4	121.9503	6.306	6	121.9503	6.306	6	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	2:3:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	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]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	123.0353	1.593	3	123.3918	2.200	4	121.9503	6.306	6	121.9503	6.306	6	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]N[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])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[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>}	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	120.6212	6.942	5	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	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,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>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{2|H<1>,2|N<2>,3|C<3>,4|N<3>}	119.8840	0.000	1	122.3445	12.108	2	120.5712	9.239	4	120.6212	6.942	5	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	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,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>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	124.8050	0.000	1	122.3445	12.108	2	120.5712	9.239	4	120.6212	6.942	5	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:P[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	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]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	118.7980	1.741	2	118.7980	3.031	2	120.5712	9.239	4	120.6212	6.942	5	121.9935	8.352	21	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:H-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(O[6]C[6])(H)(O)	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]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	P[6](O[6]C[6,6a])(O[6]C[6])(H)(O){1|O<1>,2|C<3>}	122.4400	0.000	1	122.4400	0.000	1	122.4400	0.000	1	122.4400	0.000	1	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	P[6](O[6]C[6,6a])(O[6]C[6])(OC)(O)	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]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	P[6](O[6]C[6,6a])(O[6]C[6])(OC)(O){2|C<3>,2|H<1>}	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	121.4760	4.488	2	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O-2:S-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]O[6]OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S)	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]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>}	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S){1|C<4>,1|H<1>,2|C<3>}	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	121.4760	4.488	2	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:3:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O)	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]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O){1|O<1>,2|C<3>}	120.0842	1.078	4	120.0842	1.162	4	120.0842	1.162	4	120.9948	3.750	6	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:3:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	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,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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){1|H<1>,3|C<3>}	121.1860	0.000	1	121.1860	0.000	1	122.8160	5.314	2	120.9948	3.750	6	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:3:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	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]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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){2|C<3>,2|H<1>}	124.4460	0.000	1	124.4460	0.000	1	122.8160	5.314	2	120.9948	3.750	6	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:3:2:2:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:N-2:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	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]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:3:4:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:C-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	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[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>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	118.7340	2.051	6	118.7340	4.208	6	118.6074	3.618	7	118.6074	3.618	7	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	2:3:4:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:C-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O)	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]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>}	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O){1|C<4>,1|H<1>,2|C<3>}	117.8480	0.000	1	117.8480	0.000	1	118.6074	3.618	7	118.6074	3.618	7	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-2:O-1:	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[6a]C[6a]H)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OBi)(O)	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[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OBi)(O){1|H<1>,4|C<3>}	118.6720	0.000	1	118.6720	0.000	1	118.5850	0.015	2	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-2:O-1:	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[6a]C[6a]H)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O)	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[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O){1|H<1>,4|C<3>}	118.4980	0.000	1	118.4980	0.000	1	118.5850	0.015	2	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:S-2:O-1:	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[6a]C[6a]H)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(SC[6a])(O)	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[6a]C[6a]H)(O[6]P[6]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(SC[6a])(O){1|H<1>,4|C<3>}	118.4640	0.000	1	118.4640	0.000	1	118.4640	0.000	1	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:S[6]-2:S-1:	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]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(S[6]C[6])(S)	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]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|S<1>,1|S<2>,2|C<3>,4|H<1>}	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(S[6]C[6])(S){4|C<3>,4|H<1>}	125.6590	2.212	2	125.6590	4.892	2	125.6590	4.892	2	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:O-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	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]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>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){1|N<2>,2|H<1>,3|C<3>}	121.1210	0.000	1	122.9905	6.990	2	122.9905	6.990	2	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:O-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	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]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>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){2|H<1>,4|C<3>}	124.8600	0.000	1	122.9905	6.990	2	122.9905	6.990	2	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-2:O-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]OO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O)	O[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]OO){5|C<3>}	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>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O){1|H<1>,4|C<3>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	121.2964	13.331	8	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:3:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-3:Se-1:	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]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se)	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]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>}	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se){1|O<1>,2|H<1>,4|C<3>}	121.0650	0.000	1	121.0650	0.000	1	121.0650	0.000	1	121.0650	0.000	1	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:4:4:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	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[6a]C[6a]H)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	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[6a]C[6a]H)(O[6]P[6]){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	118.5137	0.305	3	118.5137	0.093	3	118.5137	0.093	3	118.5137	0.093	3	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:3:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	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[6a]C[6a]H)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	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[6a]C[6a]H)(O[6]P[6]){1|O<1>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,6|C<3>}	127.0210	0.000	1	127.0210	0.000	1	127.0210	0.000	1	122.3050	20.605	3	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:3:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:O[6]-2:O-1:	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]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	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]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|N<2>,4|H<1>,5|C<3>}	121.9280	0.000	1	121.9280	0.000	1	121.9280	0.000	1	122.3050	20.605	3	120.5438	7.766	32	121.1182	8.355	53
622	643	849	6:SP2_SP2_SP3	O[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:3:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:O[6]-2:S-1:	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]C[6])(C[6a]C[6a]H)(O[6]P[6])	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S)	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]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S){4|H<1>,6|C<3>}	117.9660	0.000	1	117.9660	0.000	1	117.9660	0.000	1	122.3050	20.605	3	120.5438	7.766	32	121.1182	8.355	53
622	643	855	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[3x6]	3:6:	3:3:2:	3:3:3:2:2:2:	C[6,6a]-3:Si[3x6]-6:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]3O[6]2)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]Si[3x6])	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])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](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>}	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	126.3773	1.482	3	126.3773	2.196	3	126.3773	2.196	3	126.3773	2.196	3	126.3773	2.196	3	125.5666	3.037	5
622	643	855	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[6,6]	6:3:	3:3:2:	3:2:2:3:3:2:	Si[6,6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]Si[6,6])	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	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]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>}	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	124.3505	1.681	2	124.3505	2.825	2	124.3505	2.825	2	124.3505	2.825	2	124.3505	2.825	2	125.5666	3.037	5
622	643	857	6:SP2_SP2_SP2	O[6]	C[6,6a]	Ge[4,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:Ge[4,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[4,6]-3:O[4,6]-3:O[6]-2:	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]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	Ge[4,6](O[4,6]Ge[4,6]C[6])2(O[6]C[6,6a])	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]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	Ge[4,6](O[4,6]Ge[4,6]C[6])2(O[6]C[6,6a]){1|O<2>,3|C<3>,4|H<1>}	127.0310	0.058	2	127.0310	0.003	2	127.0310	0.003	2	127.0310	0.003	2	127.0310	0.003	2	127.0310	0.003	2
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[3x6]	3:4:	3:3:2:	3:4:4:2:	C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[3x6])	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	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]C[6])(C[6a]C[6a]H)(O[6]B[3x6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	115.0178	0.953	9	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[3x6]	4:3:	3:3:2:	3:3:2:2:	B[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	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[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>}	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	114.7320	0.215	2	114.7320	0.046	2	114.7486	0.343	8	114.7486	0.343	8	115.0178	0.953	9	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[3x6]	4:3:	3:3:2:	3:3:2:2:	B[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(O[6]B[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	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[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>}	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	114.7542	0.687	6	114.7542	0.471	6	114.7486	0.343	8	114.7486	0.343	8	115.0178	0.953	9	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	2:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](O[6]C[6,6a])4	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](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>}	B[6,6](O[6]C[6,6a])4{6|C<3>}	121.9010	1.679	31	121.5035	2.774	53	121.5035	2.774	53	121.4617	2.644	57	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	2:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](O[6]C[6,6a])4	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](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>}	B[6,6](O[6]C[6,6a])4{6|C<3>}	120.6030	1.954	10	121.5035	2.774	53	121.5035	2.774	53	121.4617	2.644	57	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	2:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](O[6]C[6,6a])4	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](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>}	B[6,6](O[6]C[6,6a])4{6|C<3>}	121.2269	1.016	12	121.5035	2.774	53	121.5035	2.774	53	121.4617	2.644	57	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	2:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6])	B[6,6](O[6]C[6,6a])2(O[6]C[6])2	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[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>}	B[6,6](O[6]C[6,6a])2(O[6]C[6])2{4|C<3>,4|H<1>}	120.9083	0.912	4	120.9083	0.831	4	120.9083	0.831	4	121.4617	2.644	57	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	2:2:3:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	121.9205	1.701	2	121.9205	2.892	2	121.9205	2.892	2	121.9205	2.892	2	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6])	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	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[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>}	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	115.3225	0.721	2	115.3225	0.519	2	115.3225	0.519	2	118.3113	27.059	3	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	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]C[6])(C[6a]C[6a]C)(O[6]B[6,6])	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	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]C[6])(C[6a]C[6a]C)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	118.3113	27.059	3	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	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](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>}	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	123.7901	0.493	32	123.7901	0.243	32	123.7901	0.243	32	123.7901	0.243	32	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	3:4:	3:3:2:	4:2:2:2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	118.5380	1.789	2	118.5380	3.200	2	118.5380	3.200	2	118.5380	3.200	2	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:2:2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	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[6,6a]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>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|H<1>,1|O<2>,8|C<3>}	118.4780	5.803	2	117.9627	5.261	10	117.9627	5.261	10	117.9627	5.261	10	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:2:2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	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[6,6a]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>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2{2|H<1>,8|C<3>}	117.8339	1.364	8	117.9627	5.261	10	117.9627	5.261	10	117.9627	5.261	10	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:2:3:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	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[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	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[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>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	116.7800	0.000	1	116.7800	0.000	1	116.7800	0.000	1	116.7800	0.000	1	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:2:4:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	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[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	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[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>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:3:2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:O[6]-2:	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	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[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>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|B<4>,1|N<3>,2|H<1>,8|C<3>}	127.4210	0.000	1	127.4210	0.000	1	127.4210	0.000	1	122.3307	27.808	4	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:3:2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	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[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,2|H<1>,4|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|B<4>,3|H<1>,8|C<3>}	123.2200	2.959	2	123.2200	8.753	2	123.2200	8.753	2	122.3307	27.808	4	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	3:3:3:2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	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[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	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[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>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	115.4620	0.000	1	115.4620	0.000	1	115.4620	0.000	1	122.3307	27.808	4	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6,6]	4:3:	3:3:2:	4:3:2:2:	B[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	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]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	121.0925	0.370	2	121.0925	0.137	2	121.0925	0.137	2	121.0925	0.137	2	121.6327	6.420	114	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]C[6])(F)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]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>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<4>,2|C<3>}	118.2280	0.000	1	118.4063	4.208	3	118.4063	4.208	3	119.8076	3.909	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]C[6])(F)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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,2|C<3>,2|F<1>,2|O<2>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	116.4500	0.000	1	118.4063	4.208	3	118.4063	4.208	3	119.8076	3.909	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]C[6])(F)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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	120.5410	0.000	1	118.4063	4.208	3	118.4063	4.208	3	119.8076	3.909	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	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]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>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<3>,2|C<3>}	119.2960	0.000	1	119.2960	0.000	1	119.2960	0.000	1	119.8076	3.909	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	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>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	121.3793	0.858	3	121.3793	0.737	3	121.3793	0.737	3	119.8076	3.909	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:2:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])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]C[6])(C[6a]C[6a]H)(O[6]B[6]){2|C<3>,2|H<1>,3|O<2>}	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:3:1:	C[6,6a]-3:B[6]-4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:C-3:F-1:	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	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[6,6a](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>}	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	116.1060	0.000	1	116.1060	0.000	1	116.1060	0.000	1	116.1060	0.000	1	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:2:4:4:	C[6,6a]-3:B[6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:B[6]-4:N-4:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	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](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>}	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	119.1460	0.335	2	119.1460	0.112	2	119.1460	0.112	2	119.1460	0.112	2	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	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,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	125.1700	0.000	1	125.1700	0.000	1	123.7344	1.852	14	123.8614	1.728	16	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	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]C[6])(C[6a]C[6a]Cl)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	123.2823	1.666	3	123.2823	2.776	3	123.7344	1.852	14	123.8614	1.728	16	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	123.4752	1.127	9	123.4752	1.271	9	123.7344	1.852	14	123.8614	1.728	16	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	125.9880	0.000	1	125.9880	0.000	1	123.7344	1.852	14	123.8614	1.728	16	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:N[6]-3:F-1:F-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	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[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>}	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	124.7500	0.178	2	124.7500	0.032	2	124.7500	0.032	2	123.8614	1.728	16	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:3:2:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	2:4:3:3:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-4:C-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<4>,3|C<3>,4|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	119.9363	3.283	3	119.9363	10.780	3	119.9363	10.780	3	119.9363	10.780	3	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)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]C[6])2(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>,2|O<2>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	122.2945	2.138	4	122.2945	4.572	4	122.2945	4.572	4	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)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[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>}	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2{1|N<3>,4|C<3>}	120.5153	1.062	3	120.5153	1.128	3	122.0804	5.953	5	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|C<4>,4|C<3>}	125.6900	0.000	1	124.4280	3.185	2	122.0804	5.953	5	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|O<2>,4|C<3>}	123.1660	0.000	1	124.4280	3.185	2	122.0804	5.953	5	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	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[6,6a]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>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	124.6250	0.000	1	124.6250	0.000	1	124.6250	0.000	1	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	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,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	123.9651	1.045	8	123.9651	1.092	8	123.6619	1.935	20	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	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]C[6])(C[6a]C[6,6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	121.3080	0.000	1	121.3080	0.000	1	123.6619	1.935	20	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	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]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	123.7180	0.000	1	123.7180	0.000	1	123.6619	1.935	20	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	123.0950	0.000	1	123.0950	0.000	1	123.6619	1.935	20	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	121.2850	1.106	2	123.7107	2.812	9	123.6619	1.935	20	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	124.4037	1.012	7	123.7107	2.812	9	123.6619	1.935	20	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	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]N[6])(O[6]B[6])	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	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]N[6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	123.1503	3.299	31	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:O-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	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]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	127.6260	0.000	1	127.6260	0.000	1	127.6260	0.000	1	127.6260	0.000	1	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:1:	C[6,6a]-3:B[6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:C-3:F-1:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	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](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>}	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	119.3363	12.780	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:C-3:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	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[6,6a]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>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	122.8990	0.000	1	118.3010	12.875	5	118.3010	12.875	5	119.3363	12.780	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:C-3:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	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[6,6a]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>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	117.1515	2.891	4	118.3010	12.875	5	118.3010	12.875	5	119.3363	12.780	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:C-3:F-1:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	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[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>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	123.7170	0.000	1	123.7170	0.000	1	123.7170	0.000	1	119.3363	12.780	7	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	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]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>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB){1|C<4>,2|H<1>,4|C<3>}	124.5880	0.557	2	124.5880	0.310	2	124.0859	2.146	9	124.0859	2.146	9	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	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]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>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	122.4425	1.623	2	123.9700	3.235	6	124.0859	2.146	9	124.0859	2.146	9	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|F<1>,2|H<1>,4|C<3>}	123.9910	0.214	2	123.9700	3.235	6	124.0859	2.146	9	124.0859	2.146	9	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){3|H<1>,4|C<3>}	125.4765	2.071	2	123.9700	3.235	6	124.0859	2.146	9	124.0859	2.146	9	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	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]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	123.7770	0.000	1	123.7770	0.000	1	124.0859	2.146	9	124.0859	2.146	9	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:4:4:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:O[6]-2:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2	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]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|C<4>,2|H<1>,3|C<3>}	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2{1|N<2>,4|C<3>}	119.7835	0.337	2	119.7835	0.114	2	119.7835	0.114	2	120.4287	1.306	3	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:2:4:4:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	121.7190	0.000	1	121.7190	0.000	1	121.7190	0.000	1	120.4287	1.306	3	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:2:3:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	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[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>}	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]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])	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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](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>}	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	121.9840	0.000	1	121.9840	0.000	1	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	121.4830	0.000	1	121.4830	0.000	1	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	118.6590	2.347	3	118.6590	5.509	3	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	119.0350	0.000	1	119.0350	0.000	1	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,7|C<3>}	122.4410	0.000	1	122.4410	0.000	1	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	126.5620	0.000	1	121.5698	8.474	5	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	120.4137	1.150	3	121.5698	8.474	5	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	120.0460	0.000	1	121.5698	8.474	5	120.7308	6.295	12	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	123.3710	0.165	2	123.3710	0.027	2	123.3710	0.027	2	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	120.4660	0.000	1	120.4660	0.000	1	123.9580	24.388	2	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	127.4500	0.000	1	127.4500	0.000	1	123.9580	24.388	2	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	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[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>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	124.3440	0.000	1	124.3440	0.000	1	124.3440	0.000	1	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	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>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|H<1>,4|F<1>,8|C<3>}	118.7170	0.000	1	117.4747	1.370	3	117.4747	1.370	3	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	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>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	116.8535	0.651	2	117.4747	1.370	3	117.4747	1.370	3	120.8590	9.202	21	122.0802	8.099	105	121.5776	8.765	228
622	643	874	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[6]	3:4:	3:3:2:	4:2:3:1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	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]C[6])(C[6a]C[6a]H)(O[6]B[6])	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	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]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>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	122.0802	8.099	105	121.5776	8.765	228
622	643	928	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[5,6,6]	6:3:	3:2:3:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)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]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>}	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	128.3092	2.570	4	128.3092	6.603	4	128.3092	6.603	4	128.3092	6.603	4	126.8828	5.436	12	126.8828	5.436	12
622	643	928	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[5,6,6]	6:3:	3:2:3:	3:3:2:2:3:3:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	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]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>}	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	125.5108	1.032	4	125.5108	1.064	4	125.5108	1.064	4	125.5108	1.064	4	126.8828	5.436	12	126.8828	5.436	12
622	643	928	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[5,6,6]	6:3:	3:2:3:	3:3:2:2:4:2:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	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]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>}	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	129.1255	0.006	2	129.1255	0.000	2	129.1255	0.000	2	129.1255	0.000	2	126.8828	5.436	12	126.8828	5.436	12
622	643	928	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[5,6,6]	6:3:	3:2:3:	3:3:3:3:2:2:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	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]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>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	124.6060	0.000	1	124.5315	0.011	2	124.5315	0.011	2	124.5315	0.011	2	126.8828	5.436	12	126.8828	5.436	12
622	643	928	6:SP2_SP2_SPD6	O[6]	C[6,6a]	Si[5,6,6]	6:3:	3:2:3:	3:3:3:3:2:2:	Si[5,6,6]-6:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	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]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>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	124.4570	0.000	1	124.5315	0.011	2	124.5315	0.011	2	124.5315	0.011	2	126.8828	5.436	12	126.8828	5.436	12
622	643	931	6:SP2_SP2_SPD5	O[6]	C[6,6a]	Si[5,6,6]	5:3:	3:2:3:	3:3:3:2:2:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	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]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>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	122.4915	0.995	2	123.6647	3.742	4	123.6647	3.742	4	123.6647	3.742	4	123.6647	3.742	4	123.7842	2.878	5
622	643	931	6:SP2_SP2_SPD5	O[6]	C[6,6a]	Si[5,6,6]	5:3:	3:2:3:	3:3:3:2:2:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	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]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>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	123.3000	0.000	1	123.6647	3.742	4	123.6647	3.742	4	123.6647	3.742	4	123.6647	3.742	4	123.7842	2.878	5
622	643	931	6:SP2_SP2_SPD5	O[6]	C[6,6a]	Si[5,6,6]	5:3:	3:2:3:	3:3:3:2:2:	Si[5,6,6]-5:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	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]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	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]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>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	126.3760	0.000	1	123.6647	3.742	4	123.6647	3.742	4	123.6647	3.742	4	123.6647	3.742	4	123.7842	2.878	5
622	643	931	6:SP2_SP2_SPD5	O[6]	C[6,6a]	Si[5,6]	5:3:	3:3:2:	3:4:2:2:4:	Si[5,6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	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]C[6])(C[6a]C[6a]H)(O[6]Si[5,6])	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	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]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>}	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	124.2620	0.000	1	124.2620	0.000	1	124.2620	0.000	1	124.2620	0.000	1	124.2620	0.000	1	123.7842	2.878	5
622	643	934	6:SP2_SP2_SPD5	O[6]	C[6,6a]	Si[3x6]	5:3:	3:3:2:	3:3:2:2:2:	Si[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	O[6](Si[3x6]N[5a,6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6])	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6])	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[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>}	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	131.0190	1.541	2	131.0190	2.376	2	131.0190	2.376	2	131.0190	2.376	2	128.2990	10.660	4	128.2990	10.660	4
622	643	934	6:SP2_SP2_SPD5	O[6]	C[6,6a]	Si[3x6]	5:3:	3:3:2:	3:3:3:2:2:	Si[3x6]-5:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]Si[3x6])	Si[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	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[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>}	Si[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	125.5790	0.095	2	125.5790	0.009	2	125.5790	0.009	2	125.5790	0.009	2	128.2990	10.660	4	128.2990	10.660	4
622	643	943	6:SP2_SP-NON_SP2	O[6]	C[6,6a]	Ga[6,6]	3:4:	3:3:2:	2:2:4:4:	C[6,6a]-3:Ga[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	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]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	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]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|O<2>,2|N<4>,4|H<1>}	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	130.0335	0.685	2	130.0335	0.469	2	130.0335	0.469	2	130.0335	0.469	2	130.0335	0.469	2	126.0514	31.701	7
622	643	943	6:SP2_SP-NON_SP2	O[6]	C[6,6a]	Ga[6]	3:4:	3:3:2:	2:3:4:4:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6])	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	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]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	121.7060	0.000	1	121.7060	0.000	1	121.7060	0.000	1	121.7060	0.000	1	124.4586	36.335	5	126.0514	31.701	7
622	643	943	6:SP2_SP-NON_SP2	O[6]	C[6,6a]	Ga[6]	3:4:	3:3:2:	3:2:4:4:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:O[6]-2:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2	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]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){2|C<3>,2|H<1>,3|C<4>}	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2{2|C<4>,3|C<3>}	116.6020	0.000	1	116.6020	0.000	1	116.6020	0.000	1	123.1837	44.812	3	124.4586	36.335	5	126.0514	31.701	7
622	643	943	6:SP2_SP-NON_SP2	O[6]	C[6,6a]	Ga[6]	3:4:	3:3:2:	3:2:4:4:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	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[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>}	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	129.9850	0.000	1	129.9850	0.000	1	129.9850	0.000	1	123.1837	44.812	3	124.4586	36.335	5	126.0514	31.701	7
622	643	943	6:SP2_SP-NON_SP2	O[6]	C[6,6a]	Ga[6]	3:4:	3:3:2:	3:2:4:4:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	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]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	122.9640	0.000	1	122.9640	0.000	1	122.9640	0.000	1	123.1837	44.812	3	124.4586	36.335	5	126.0514	31.701	7
622	643	943	6:SP2_SP-NON_SP2	O[6]	C[6,6a]	Ga[6]	3:4:	3:3:2:	4:2:2:1:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-4:O[6]-2:O-2:Cl-1:	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	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]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>}	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	131.0360	0.000	1	131.0360	0.000	1	131.0360	0.000	1	131.0360	0.000	1	124.4586	36.335	5	126.0514	31.701	7
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a,6a]C[6,6a])(S[6]O[6]OO)	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])	S[6](O[6]C[6,6a])2(O)2	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,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>}	S[6](O[6]C[6,6a])2(O)2{3|C<3>}	117.0690	0.000	1	117.0690	0.000	1	117.0690	0.000	1	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]O[6]OO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])2(O)2	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](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>}	S[6](O[6]C[6,6a])2(O)2{3|C<3>}	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,2|C<3>}	114.8810	0.683	2	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{2|C<3>,2|C<4>}	114.5910	0.000	1	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|P<4>,3|C<3>}	114.8420	0.000	1	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|H<1>,3|C<3>}	116.8310	0.000	1	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{4|C<3>}	116.6530	0.000	1	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,2|C<3>}	116.5912	0.484	5	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>}	113.9510	0.000	1	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{3|C<3>}	117.6510	0.000	1	115.9413	1.415	13	115.9413	1.415	13	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6a]-3:S[6]-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]N[6]OO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]N[6]OO){4|C<3>}	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>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,2|C<3>}	116.3030	0.909	2	116.3030	0.827	2	116.3030	0.827	2	116.0559	1.195	17	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	115.7560	0.000	1	115.9805	0.101	2	115.9805	0.101	2	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){2|C<3>,2|H<1>,3|O<1>}	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	116.2050	0.000	1	115.9805	0.101	2	115.9805	0.101	2	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,2|C<3>}	114.6590	0.000	1	115.9148	2.071	5	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	116.2288	1.451	4	115.9148	2.071	5	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<2>,1|H<1>,2|C<3>}	117.8030	0.000	1	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	116.2480	0.000	1	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	116.9633	0.718	3	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,3|C<3>}	116.6130	0.000	1	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]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>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	117.0080	0.000	1	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	116.2585	0.858	6	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:3:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{4|C<3>}	116.3225	0.011	2	116.5839	0.550	15	116.4166	0.929	20	116.3770	0.862	22	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	2:4:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2	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]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2{1|H<1>,3|C<3>}	119.7015	0.958	4	119.7015	0.919	4	119.7015	0.919	4	119.7015	0.919	4	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	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[6,6a]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>}	S[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|H<1>,1|O<2>,4|C<3>}	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[3,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[3,6]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[3,6]C[3,6]C[3])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[3,6]C[3,6]C[3])(O[6]C[6,6a])(O)2{2|H<1>,3|C<3>}	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{3|H<1>,4|C<3>}	114.9225	0.214	2	114.9225	0.046	2	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.8740	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|O<1>,2|C<3>,3|C<4>}	117.2320	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|H<1>,4|C<3>}	116.4690	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	115.6140	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{2|C<3>,2|H<1>,3|C<4>}	114.3630	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{2|C<4>,2|H<1>,3|C<3>}	113.6050	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.8530	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.8560	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|N<3>,3|C<3>,3|H<1>}	114.3040	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|O<2>,2|C<4>,4|C<3>}	115.4150	0.000	1	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,4|C<3>}	114.3042	1.328	4	114.8430	1.750	14	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]S[6])	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	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[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>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.0430	0.000	1	115.0430	0.000	1	114.8641	1.427	17	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	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[6,6a]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>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|C<4>,1|O<1>,1|P<4>,3|C<3>}	118.2110	0.000	1	116.4788	7.123	5	116.4788	7.123	5	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	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[6,6a]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>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	114.9825	2.900	2	116.4788	7.123	5	116.4788	7.123	5	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	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[6,6a]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>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{2|C<3>,2|H<1>,3|C<4>}	114.6790	0.000	1	116.4788	7.123	5	116.4788	7.123	5	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6,6]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	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[6,6a]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>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|O<2>,3|C<3>,3|H<1>}	119.5390	0.000	1	116.4788	7.123	5	116.4788	7.123	5	115.3544	2.875	24	116.0727	2.788	68	116.0727	2.788	68
622	643	961	6:SP2_SP2_SP3	O[6]	C[6,6a]	S[6]	3:4:	3:3:2:	4:2:1:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	S[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)2	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[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>}	S[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	116.0727	2.788	68	116.0727	2.788	68
622	658	658	6:SP3_SP3_SP3	O[6,6]	Si[3x6]	Si[3x6]	4:4:	4:4:2:4:	2:2:2:4:	Si[3x6]-4:Si[3x6]-4:	Si[6,6]-4:Si[6,6]-4:O[6,6]-2:C-4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	O[6,6](Si[3x6]Si[6,6]2C)(Si[3x6]O[6,6]2C)	Si[3x6](Si[6,6]Si[3x6]CC)2(O[6,6]Si[3x6])(CH3)	Si[3x6](O[6,6]Si[3x6])3(CH3)	O[6,6](Si[3x6]Si[6,6]2C)(Si[3x6]O[6,6]2C){2|Si<4>,4|C<4>}	Si[3x6](Si[6,6]Si[3x6]CC)2(O[6,6]Si[3x6])(CH3){1|Si<4>,2|O<2>,3|C<4>}	Si[3x6](O[6,6]Si[3x6])3(CH3){3|Si<4>,3|C<4>}	129.3870	0.395	2	129.3870	0.156	2	129.3870	0.156	2	129.3870	0.156	2	129.3870	0.156	2	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6,6]	Si[6,6]	Si[6,6]	4:4:	3:3:2:3:	3:3:2:3:	Si[6,6]-4:Si[6,6]-4:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C[6a]-3:	O[6,6](Si[6,6]C[6,6a]2C[6a])2	Si[6,6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6,6]Si[6,6])(C[6a]C[6a]2)	Si[6,6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6,6]Si[6,6])(C[6a]C[6a]2)	O[6,6](Si[6,6]C[6,6a]2C[6a])2{10|C<3>}	Si[6,6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6,6]Si[6,6])(C[6a]C[6a]2){10|C<3>,3|H<1>}	Si[6,6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6,6]Si[6,6])(C[6a]C[6a]2){10|C<3>,3|H<1>}	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	2:2:1:1:	2:2:1:1:	Si[6]-4:Si[6]-4:	O[6]-2:O[6]-2:Cl-1:Cl-1:	O[6]-2:O[6]-2:Cl-1:Cl-1:	O[6](Si[6]O[6]Cl2)2	Si[6](O[6]Si[6])2(Cl)2	Si[6](O[6]Si[6])2(Cl)2	O[6](Si[6]O[6]Cl2)2{1|Si<4>}	Si[6](O[6]Si[6])2(Cl)2{4|Cl<1>,1|O<2>}	Si[6](O[6]Si[6])2(Cl)2{4|Cl<1>,1|O<2>}	132.3050	0.121	3	132.3050	0.015	3	132.3050	0.015	3	132.3050	0.015	3	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	2:2:2:4:	2:2:2:4:	Si[6]-4:Si[6]-4:	O[6]-2:O[6]-2:O-2:C-4:	O[6]-2:O[6]-2:O-2:C-4:	O[6](Si[6]O[6]CO)2	Si[6](O[6]Si[6])2(OSi[6])(CC3)	Si[6](O[6]Si[6])2(OSi[6])(CC3)	O[6](Si[6]O[6]CO)2{1|Si<4>}	Si[6](O[6]Si[6])2(OSi[6])(CC3){2|C<4>,3|O<2>}	Si[6](O[6]Si[6])2(OSi[6])(CC3){2|C<4>,3|O<2>}	130.3243	0.668	6	130.3243	0.446	6	130.3243	0.446	6	130.3243	0.446	6	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	2:2:4:4:	2:2:4:4:	Si[6]-4:Si[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:C-4:C-4:	O[6](Si[6]O[6]CC)2	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2	O[6](Si[6]O[6]CC)2{1|Si<4>}	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>}	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>}	133.1870	0.412	2	133.1870	0.169	2	134.1050	1.180	4	134.1050	1.180	4	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	2:2:4:4:	2:2:4:4:	Si[6]-4:Si[6]-4:	O[6]-2:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:C-4:C-4:	O[6](Si[6]O[6]CC)2	Si[6](O[6]Si[6])2(CC3)2	Si[6](O[6]Si[6])2(CC3)2	O[6](Si[6]O[6]CC)2{1|Si<4>}	Si[6](O[6]Si[6])2(CC3)2{1|O<2>,4|C<4>}	Si[6](O[6]Si[6])2(CC3)2{1|O<2>,4|C<4>}	135.0230	0.008	2	135.0230	0.000	2	134.1050	1.180	4	134.1050	1.180	4	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:2:2:2:	3:2:2:2:	Si[6]-4:Si[6]-4:	C[6a]-3:O[6]-2:O[6]-2:O-2:	C[6a]-3:O[6]-2:O[6]-2:O-2:	O[6](Si[6]C[6a]O[6]O)2	Si[6](C[6a]C[6a]2)(O[6]Si[6])2(OP)	Si[6](C[6a]C[6a]2)(O[6]Si[6])2(OP)	O[6](Si[6]C[6a]O[6]O)2{1|Si<4>,4|C<3>}	Si[6](C[6a]C[6a]2)(O[6]Si[6])2(OP){2|H<1>,3|O<2>,4|C<3>}	Si[6](C[6a]C[6a]2)(O[6]Si[6])2(OP){2|H<1>,3|O<2>,4|C<3>}	132.4380	0.000	1	132.4380	0.000	1	132.4380	0.000	1	132.4380	0.000	1	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:2:4:4:	3:2:4:4:	Si[6]-4:Si[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	O[6](Si[6]C[6,6a]CC)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]Si[6])(CH3)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]Si[6])(CH3)2	O[6](Si[6]C[6,6a]CC)2{3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]Si[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]Si[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	130.0285	0.394	2	130.0285	0.155	2	130.0285	0.155	2	136.9004	71.996	5	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:2:4:4:	3:2:4:4:	Si[6]-4:Si[6]-4:	N[6]-3:O[6]-2:C-4:C-4:	N[6]-3:O[6]-2:C-4:C-4:	O[6](Si[6]N[6]CC)2	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	O[6](Si[6]N[6]CC)2{1|In<3>,2|C<3>}	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>}	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>}	137.7570	0.000	1	136.8490	1.649	2	136.8490	1.649	2	136.9004	71.996	5	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:2:4:4:	3:2:4:4:	Si[6]-4:Si[6]-4:	N[6]-3:O[6]-2:C-4:C-4:	N[6]-3:O[6]-2:C-4:C-4:	O[6](Si[6]N[6]CC)2	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	O[6](Si[6]N[6]CC)2{1|In<3>,2|C<3>}	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|Zn<3>,1|N<3>,2|C<3>,2|C<4>}	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|Zn<3>,1|N<3>,2|C<3>,2|C<4>}	135.9410	0.000	1	136.8490	1.649	2	136.8490	1.649	2	136.9004	71.996	5	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:2:4:4:	3:2:4:4:	Si[6]-4:Si[6]-4:	P[6,6]-3:O[6]-2:C-4:C-4:	P[6,6]-3:O[6]-2:C-4:C-4:	O[6](Si[6]P[6,6]CC)2	Si[6](P[6,6]Si[6,6]P[5,6])(O[6]Si[6])(CCCH)2	Si[6](P[6,6]Si[6,6]Si[6])(O[6]Si[6])(CCCH)2	O[6](Si[6]P[6,6]CC)2{2|Si<4>,1|P<3>}	Si[6](P[6,6]Si[6,6]P[5,6])(O[6]Si[6])(CCCH)2{1|Si<4>,2|P<3>,4|C<4>}	Si[6](P[6,6]Si[6,6]Si[6])(O[6]Si[6])(CCCH)2{2|P<3>,6|C<4>}	150.7470	0.000	1	150.7470	0.000	1	150.7470	0.000	1	136.9004	71.996	5	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:3:2:2:	2:2:3:3:	Si[6]-4:Si[6]-4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6]-2:O[6]-2:N-3:N-3:	O[6](Si[6]C[6a]2O[6])(Si[6]O[6]NN)	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2	Si[6](O[6]Si[6])2(NCH)2	O[6](Si[6]C[6a]2O[6])(Si[6]O[6]NN){1|Si<4>,4|C<3>}	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2{1|O<2>,2|N<3>,4|H<1>,6|C<3>}	Si[6](O[6]Si[6])2(NCH)2{1|O<2>,4|C<3>}	131.2475	1.414	2	131.2475	1.998	2	131.2475	1.998	2	131.2475	1.998	2	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:3:2:2:	3:3:2:2:	Si[6]-4:Si[6]-4:	C[6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](Si[6]C[6a]C[6]O[6])(Si[6]C[6a]2O[6])	Si[6](C[6a]C[6a]2)(C[6]C[6]2)(O[6]Si[6])2	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2	O[6](Si[6]C[6a]C[6]O[6])(Si[6]C[6a]2O[6]){1|Si<4>,8|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]2)(O[6]Si[6])2{1|C<2>,1|O<2>,4|H<1>,7|C<3>}	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2{1|O<2>,4|H<1>,8|C<3>}	131.6835	0.221	2	131.6835	0.049	2	131.6835	0.049	2	132.2051	0.555	13	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:3:2:2:	3:3:2:2:	Si[6]-4:Si[6]-4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](Si[6]C[6a]2O[6])2	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2	O[6](Si[6]C[6a]2O[6])2{1|Si<4>,8|C<3>}	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2{1|O<2>,2|N<3>,4|H<1>,6|C<3>}	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2{1|O<2>,2|N<3>,4|H<1>,6|C<3>}	130.8490	0.000	1	132.2999	0.597	11	132.2999	0.597	11	132.2051	0.555	13	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:3:2:2:	3:3:2:2:	Si[6]-4:Si[6]-4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](Si[6]C[6a]2O[6])2	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2	O[6](Si[6]C[6a]2O[6])2{1|Si<4>,8|C<3>}	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2{1|O<2>,4|H<1>,8|C<3>}	Si[6](C[6a]C[6a]2)2(O[6]Si[6])2{1|O<2>,4|H<1>,8|C<3>}	132.4450	0.637	10	132.2999	0.597	11	132.2999	0.597	11	132.2051	0.555	13	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	3:3:3:2:	3:3:3:2:	Si[6]-4:Si[6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](Si[6]C[6,6a]C[6a]2)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(O[6]Si[6])	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(O[6]Si[6])	O[6](Si[6]C[6,6a]C[6a]2)2{11|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(O[6]Si[6]){5|H<1>,9|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(O[6]Si[6]){5|H<1>,9|C<3>}	129.3480	1.829	2	129.3480	3.344	2	129.3480	3.344	2	129.3480	3.344	2	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	4:2:2:2:	4:2:2:2:	Si[6]-4:Si[6]-4:	C[5]-4:O[6]-2:O[6]-2:O-2:	C[5]-4:O[6]-2:O[6]-2:O-2:	O[6](Si[6]C[5]O[6]O)2	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6])	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6])	O[6](Si[6]C[5]O[6]O)2{1|Si<4>,2|H<1>,4|C<4>}	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6]){3|O<2>,4|C<4>,4|H<1>}	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6]){3|O<2>,4|C<4>,4|H<1>}	130.3797	1.477	3	130.3797	2.181	3	130.3797	2.181	3	130.3797	2.181	3	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	4:2:4:4:	4:2:4:4:	Si[6]-4:Si[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:C-4:C-4:	O[6](Si[6]C[6,6]CC)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2	O[6](Si[6]C[6,6]CC)2{2|H<1>,3|C<4>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2{1|N<3>,3|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2{1|N<3>,3|C<4>,4|H<1>}	131.3450	0.000	1	131.3450	0.000	1	132.2840	1.763	2	130.0949	3.794	7	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	4:2:4:4:	4:2:4:4:	Si[6]-4:Si[6]-4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:C-4:C-4:	O[6](Si[6]C[6,6]CC)2	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2	O[6](Si[6]C[6,6]CC)2{1|C<3>,1|H<1>,3|C<4>}	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2{1|N<3>,3|C<4>,4|H<1>}	133.2230	0.000	1	133.2230	0.000	1	132.2840	1.763	2	130.0949	3.794	7	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	4:2:4:4:	4:2:4:4:	Si[6]-4:Si[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:C-4:C-4:	O[6](Si[6]C[6]CC)2	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2	O[6](Si[6]C[6]CC)2{1|C<4>,4|H<1>}	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2{1|C<3>,4|C<4>}	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2{1|C<3>,4|C<4>}	131.3760	0.000	1	131.3760	0.000	1	129.2192	1.896	5	130.0949	3.794	7	132.0409	11.933	46	131.5444	18.769	49
622	658	658	6:SP3_SP3_SP3	O[6]	Si[6]	Si[6]	4:4:	4:2:4:4:	4:2:4:4:	Si[6]-4:Si[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:C-4:C-4:	O[6](Si[6]C[6]CC)2	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2	O[6](Si[6]C[6]CC)2{1|N<3>,4|H<1>}	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2{1|C<3>,3|C<4>}	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2{1|C<3>,3|C<4>}	128.6800	0.768	4	128.6800	0.589	4	129.2192	1.896	5	130.0949	3.794	7	132.0409	11.933	46	131.5444	18.769	49
622	658	762	6:SP2_SP2_SP3	O[6]	Si[6]	C[6,6]	4:3:	3:3:3:2:	3:4:2:	Si[6]-4:C[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](Si[6]C[6,6a]C[6a]2)(C[6,6]C[6,6]C[6])	Si[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6])	O[6](Si[6]C[6,6a]C[6a]2)(C[6,6]C[6,6]C[6]){2|C<4>,2|H<1>,6|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6]){1|C<4>,5|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6]){1|C<4>,2|H<1>,6|C<3>}	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	124.2993	12.220	6
622	658	762	6:SP2_SP2_SP3	O[6]	Si[6]	C[6]	3:4:	4:2:4:4:	3:2:2:	C[6]-3:Si[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6a]-3:O[6]-2:N[6]-2:	O[6](C[6]C[6a]N[6])(Si[6]C[6]CC)	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2	C[6](C[6a]C[6a]2)(O[6]Si[6])(N[6]N[6])	O[6](C[6]C[6a]N[6])(Si[6]C[6]CC){1|N<3>,2|C<3>,2|H<1>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(O[6]Si[6])(N[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	128.5070	0.000	1	128.5070	0.000	1	128.5070	0.000	1	128.5070	0.000	1	125.0648	10.880	5	124.2993	12.220	6
622	658	762	6:SP2_SP2_SP3	O[6]	Si[6]	C[6]	4:3:	3:2:4:4:	3:2:1:	Si[6]-4:C[6]-3:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6]-3:O[6]-2:O-1:	O[6](Si[6]N[6,6]CC)(C[6]N[6,6]O)	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O)	O[6](Si[6]N[6,6]CC)(C[6]N[6,6]O){1|C<3>,2|C<4>}	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O){2|H<1>,2|N<3>,3|C<4>}	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	125.0648	10.880	5	124.2993	12.220	6
622	658	762	6:SP2_SP2_SP3	O[6]	Si[6]	C[6]	4:3:	3:3:3:2:	3:2:4:	Si[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](Si[6]C[6,6a]C[6a]2)(C[6]C[6]C)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH)	O[6](Si[6]C[6,6a]C[6a]2)(C[6]C[6]C){1|H<1>,6|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH){4|C<3>}	121.9860	0.000	1	121.9860	0.000	1	121.9860	0.000	1	121.9860	0.000	1	125.0648	10.880	5	124.2993	12.220	6
622	658	762	6:SP2_SP2_SP3	O[6]	Si[6]	C[6]	4:3:	4:2:4:1:	2:2:4:	Si[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:Cl-1:	O[6]-2:N[6]-2:C-4:	O[6](Si[6]C[6]ClC)(C[6]N[6]C)	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl)	C[6](O[6]Si[6])(N[6]N[6])(CF3)	O[6](Si[6]C[6]ClC)(C[6]N[6]C){1|N<4>,2|H<1>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl){1|N<2>,3|C<4>}	C[6](O[6]Si[6])(N[6]N[6])(CF3){1|Cl<1>,4|C<4>}	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	125.0648	10.880	5	124.2993	12.220	6
622	658	762	6:SP2_SP2_SP3	O[6]	Si[6]	C[6]	4:3:	4:2:4:2:	2:2:1:	Si[6]-4:C[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	O[6]-2:N[6]-2:H-1:	O[6](Si[6]C[6]CO)(C[6]N[6]H)	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	C[6](O[6]Si[6])(N[6]N[6])(H)	O[6](Si[6]C[6]CO)(C[6]N[6]H){1|N<4>,2|H<1>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|N<2>,2|C<4>}	C[6](O[6]Si[6])(N[6]N[6])(H){1|O<2>,4|C<4>}	128.7150	0.000	1	128.7150	0.000	1	128.7150	0.000	1	128.7150	0.000	1	125.0648	10.880	5	124.2993	12.220	6
622	658	872	6:SP3_SP3_SP3	O[6]	Si[6]	Si[3,6]	4:4:	4:3:2:3:	5:4:2:2:	Si[3,6]-4:Si[6]-4:	Si[3,6]-4:C[6a]-3:O[6]-2:N-3:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N)	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC)	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N){1|Si<5>,2|O<2>,3|N<3>,4|C<3>}	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC){1|Si<4>,1|Si<5>,1|H<1>,2|N<3>,2|O<2>,3|C<3>}	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	139.1090	0.000	1	139.1090	0.000	1	139.1090	0.000	1	139.1090	0.000	1	139.1090	0.000	1	139.1090	0.000	1
622	679	762	6:SP2_SP2_SP3	O[6]	B[5a,6]	C[6]	4:3:	2:2:2:2:	3:2:3:	B[5a,6]-4:C[6]-3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a]-3:O[6]-2:C[6]-3:	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,4|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	122.4371	1.071	14	121.3599	3.170	22	121.3599	3.170	22	121.3955	2.950	24	121.8498	4.359	27	121.8498	4.359	27
622	679	762	6:SP2_SP2_SP3	O[6]	B[5a,6]	C[6]	4:3:	2:2:2:2:	3:2:3:	B[5a,6]-4:C[6]-3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a]-3:O[6]-2:C[6]-3:	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,4|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	119.4748	1.000	8	121.3599	3.170	22	121.3599	3.170	22	121.3955	2.950	24	121.8498	4.359	27	121.8498	4.359	27
622	679	762	6:SP2_SP2_SP3	O[6]	B[5a,6]	C[6]	4:3:	2:2:2:2:	3:2:3:	B[5a,6]-4:C[6]-3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H)	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	121.7870	0.972	2	121.7870	0.944	2	121.7870	0.944	2	121.3955	2.950	24	121.8498	4.359	27	121.8498	4.359	27
622	679	762	6:SP2_SP2_SP3	O[6]	B[5a,6]	C[6]	4:3:	3:2:2:2:	3:3:2:	B[5a,6]-4:C[6]-3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](B[5a,6]N[6,6]O[5a]2)(C[6]C[6a]C[6])	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6])	O[6](B[5a,6]N[6,6]O[5a]2)(C[6]C[6a]C[6]){7|C<3>}	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	125.4840	0.672	3	125.4840	0.452	3	125.4840	0.452	3	125.4840	0.452	3	121.8498	4.359	27	121.8498	4.359	27
622	679	849	6:SP3_SP3_SP3	O[6]	B[5a,6]	P[6]	4:4:	2:2:2:2:	3:2:4:4:	B[5a,6]-4:P[6]-4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[6]-3:O[6]-2:C-4:C-4:	O[6](B[5a,6]O[5a]2O[6])(P[6]C[6]CC)	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	P[6](C[6]C[6a]N[6])(O[6]B[5a,6])(CC3)2	O[6](B[5a,6]O[5a]2O[6])(P[6]C[6]CC){1|N<2>,3|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	P[6](C[6]C[6a]N[6])(O[6]B[5a,6])(CC3)2{2|C<3>,3|O<2>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	128.9010	50.120	3	128.9010	50.120	3
622	679	849	6:SP3_SP3_SP3	O[6]	B[5a,6]	P[6]	4:4:	2:2:4:2:	4:2:4:4:	B[5a,6]-4:P[6]-4:	O[5a]-2:O[5a]-2:P[6]-4:O[6]-2:	B[5a,6]-4:O[6]-2:C-4:C-4:	O[6](B[5a,6]O[5a]2P[6])(P[6]B[5a,6]CC)	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6])	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2	O[6](B[5a,6]O[5a]2P[6])(P[6]B[5a,6]CC){2|C<3>,2|C<4>,3|O<2>}	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6]){1|B<4>,2|C<3>,2|C<4>}	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2{1|P<4>,2|C<3>,2|O<2>}	135.9280	0.000	1	135.9280	0.000	1	135.9280	0.000	1	135.9280	0.000	1	128.9010	50.120	3	128.9010	50.120	3
622	679	849	6:SP3_SP3_SP3	O[6]	B[5a,6]	P[6]	4:4:	3:2:2:2:	4:2:4:4:	B[5a,6]-4:P[6]-4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[6]-4:O[6]-2:C-4:C-4:	O[6](B[5a,6]N[5,6]O[5a]2)(P[6]C[6]CC)	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2	O[6](B[5a,6]N[5,6]O[5a]2)(P[6]C[6]CC){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2{1|B<4>,1|N<3>,2|O<2>}	129.0050	0.000	1	129.0050	0.000	1	129.0050	0.000	1	129.0050	0.000	1	128.9010	50.120	3	128.9010	50.120	3
622	679	856	6:SP3_SP2_SP3	O[6]	B[5a,6]	N[6]	4:3:	3:2:2:2:	3:2:4:	B[5a,6]-4:N[6]-3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6])	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3)	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C){1|H<1>,4|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6]){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3){2|C<3>,2|O<2>}	117.5310	0.590	2	117.5310	0.348	2	117.5310	0.348	2	117.5310	0.348	2	117.5310	0.348	2	117.5310	0.348	2
622	679	914	6:SP2_SP2_SP3	O[6]	B[5a,6]	N[6]	4:2:	2:2:2:2:	3:2:	B[5a,6]-4:N[6]-2:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[6]-3:O[6]-2:	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	N[6](C[6]C[6a]P[6])(O[6]B[5a,6])	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6]){1|P<4>,3|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	N[6](C[6]C[6a]P[6])(O[6]B[5a,6]){2|C<3>,2|C<4>,3|O<2>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6,6]	3:3:	3:2:2:	3:2:4:	C[5a,6]-3:C[6,6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6])	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	114.2727	0.738	3	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6,6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.0660	0.000	1	113.8010	0.140	2	113.8010	0.140	2	113.8010	0.140	2	114.2727	0.738	3	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6,6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	113.5360	0.000	1	113.8010	0.140	2	113.8010	0.140	2	113.8010	0.140	2	114.2727	0.738	3	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<3>,1|N<2>,2|C<4>}	115.7315	0.841	2	115.4128	0.252	6	115.4128	0.252	6	115.4128	0.252	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,2|C<3>}	115.1407	0.220	3	115.4128	0.252	6	115.4128	0.252	6	115.4128	0.252	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<2>,2|C<3>}	115.5920	0.000	1	115.4128	0.252	6	115.4128	0.252	6	115.4128	0.252	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:4:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<2>,2|C<3>}	118.0710	1.208	2	118.0710	1.459	2	118.0710	1.459	2	118.0710	1.459	2	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:4:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<2>,2|C<3>}	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	116.0743	0.437	3	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:4:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	O[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|S<2>,2|C<3>}	115.8430	0.744	2	115.8430	0.553	2	115.8430	0.553	2	116.0743	0.437	3	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	115.3317	0.192	4	115.3317	0.037	4	115.3317	0.037	4	115.3317	0.037	4	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:2:2:	4:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O){1|H<1>,1|N<2>,4|C<3>}	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:	O[6]-2:N[6]-2:N-3:	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6])	C[6](O[6]C[5a,6])(N[6]S[6])(NCC)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	C[6](O[6]C[5a,6])(N[6]S[6])(NCC){1|C<3>,1|N<3>,2|O<1>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]H)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|H<1>,5|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|N<2>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a]){1|N<3>,2|C<3>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	114.3880	0.000	1	114.5265	0.038	2	114.5265	0.038	2	115.8847	0.931	7	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|N<3>,2|C<4>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>}	114.6650	0.000	1	114.5265	0.038	2	114.5265	0.038	2	115.8847	0.931	7	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	116.1330	0.000	1	116.4280	0.096	5	116.4280	0.096	5	115.8847	0.931	7	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<4>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	116.5018	0.303	4	116.4280	0.096	5	116.4280	0.096	5	115.8847	0.931	7	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:4:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,5|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH){1|N<3>,3|C<3>}	113.9820	0.000	1	113.9820	0.000	1	114.0712	0.092	5	114.0712	0.092	5	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:4:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	114.0935	0.345	4	114.0935	0.119	4	114.0712	0.092	5	114.0712	0.092	5	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:4:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	116.4260	0.000	1	116.4260	0.000	1	116.3190	0.160	3	116.3190	0.160	3	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:4:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	115.8760	0.000	1	115.8760	0.000	1	116.3190	0.160	3	116.3190	0.160	3	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:4:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]HH)(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	116.6550	0.000	1	116.6550	0.000	1	116.3190	0.160	3	116.3190	0.160	3	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:4:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<3>,2|C<3>}	115.4073	0.607	3	115.4073	0.368	3	115.4073	0.368	3	115.4073	0.368	3	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-3:O[6]-2:N-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<2>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC){1|N<3>,3|C<3>}	113.8910	0.017	2	113.8910	0.000	2	113.8910	0.000	2	113.8910	0.000	2	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6]-3:	C[5,5a]-3:N[5a,6]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6a]C[6])	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H)	O[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6]){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H){1|N<3>,1|W<6>,2|H<1>,3|C<3>}	118.2080	0.000	1	118.2080	0.000	1	118.2080	0.000	1	114.7962	9.772	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	114.0295	0.226	2	114.0295	0.051	2	114.3462	11.270	4	114.7962	9.772	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	114.6630	5.776	2	114.6630	33.358	2	114.3462	11.270	4	114.7962	9.772	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	114.7962	9.772	6	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.2630	0.269	2	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	114.2630	0.269	2	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	4:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	115.3090	0.000	1	115.3090	0.000	1	116.3184	0.863	5	116.3184	0.863	5	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	4:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6])	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|S<4>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	116.9825	1.213	2	116.9825	1.471	2	116.3184	0.863	5	116.3184	0.863	5	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	4:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	116.1590	0.170	2	116.1590	0.029	2	116.3184	0.863	5	116.3184	0.863	5	115.5235	2.564	53	115.4565	2.532	56
622	727	762	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[6]	3:3:	3:3:2:	4:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH){1|H<1>,1|N<3>,4|C<3>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	115.5235	2.564	53	115.4565	2.532	56
622	727	818	6:SP2_SP2_SP2	O[6]	C[5a,6]	C[5,6]	3:3:	3:2:2:	3:2:4:	C[5a,6]-3:C[5,6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5,6]-3:O[6]-2:C[5]-4:	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6])	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH)	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1
622	727	874	6:SP2_SP2_SP3	O[6]	C[5a,6]	B[6,6]	4:3:	3:3:2:	3:3:2:1:	B[6,6]-4:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6]){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	117.5115	3.309	4
622	727	874	6:SP2_SP2_SP3	O[6]	C[5a,6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[5a,6]-3:B[6]-4:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF)	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2{1|N<2>,1|N<3>,3|C<3>}	118.9445	1.269	2	118.9445	1.611	2	118.9445	1.611	2	118.9445	1.611	2	117.9133	3.995	3	117.5115	3.309	4
622	727	874	6:SP2_SP2_SP3	O[6]	C[5a,6]	B[6]	3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6]){1|N<3>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6]){1|N<3>,5|H<1>,7|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	117.9133	3.995	3	117.5115	3.309	4
622	727	961	6:SP2_SP2_SP3	O[6]	C[5a,6]	S[6]	3:4:	3:3:2:	2:2:1:1:	C[5a,6]-3:S[6]-4:	N[5a,6]-3:C[5a]-3:O[6]-2:	O[6]-2:N[6]-2:O-1:O-1:	O[6](C[5a,6]N[5a,6]C[5a])(S[6]N[6]OO)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6])	S[6](O[6]C[5a,6])(N[6]C[6])(O)2	O[6](C[5a,6]N[5a,6]C[5a])(S[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	S[6](O[6]C[5a,6])(N[6]C[6])(O)2{1|C<3>,2|N<3>}	111.8620	0.438	2	111.8620	0.192	2	111.8620	0.192	2	111.8620	0.192	2	111.8620	0.192	2	111.8620	0.192	2
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	3:2:2:	3:2:2:	C[6,6]-3:C[6,6]-3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:O[6]-2:C[6]-2:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	O[6](C[6,6]C[6,6]C[6])2{2|C<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<3>,3|C<3>}	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	3:4:2:	3:4:2:	C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	118.4890	0.000	1	117.9119	0.104	34	117.9119	0.104	34	117.9119	0.104	34	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	3:4:2:	3:4:2:	C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	118.2690	0.000	1	117.9119	0.104	34	117.9119	0.104	34	117.9119	0.104	34	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	3:4:2:	3:4:2:	C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,6|C<4>}	118.4845	0.062	2	117.9119	0.104	34	117.9119	0.104	34	117.9119	0.104	34	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	3:4:2:	3:4:2:	C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	117.8482	0.287	27	117.9119	0.104	34	117.9119	0.104	34	117.9119	0.104	34	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	3:4:2:	3:4:2:	C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.7917	0.132	3	117.9119	0.104	34	117.9119	0.104	34	117.9119	0.104	34	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	4:2:3:	4:2:3:	C[6,6]-3:C[6,6]-3:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6]-4:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6])2{1|Nd<21>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.8270	0.740	3	119.8270	0.547	3	119.0812	1.322	5	119.0812	1.322	5	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6,6]	3:3:	4:2:3:	4:2:3:	C[6,6]-3:C[6,6]-3:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6]-4:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6])2{1|W<14>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.9625	0.149	2	117.9625	0.022	2	119.0812	1.322	5	119.0812	1.322	5	118.1153	0.491	40	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:3:4:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6]){1|C<3>,2|C<4>,3|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|O<2>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|C<3>,2|N<3>,5|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	117.9143	0.091	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N){1|C<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.0440	0.000	1	118.0440	0.000	1	118.0430	0.000	2	117.9143	0.091	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<4>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.0420	0.000	1	118.0420	0.000	1	118.0430	0.000	2	117.9143	0.091	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	117.5895	0.361	2	117.7530	0.145	3	117.7530	0.145	3	117.9143	0.091	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.0800	0.000	1	117.7530	0.145	3	117.7530	0.145	3	117.9143	0.091	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	118.9710	0.000	1	118.9710	0.000	1	118.9710	0.000	1	119.4875	7.774	4	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:O[6]-2:C-3:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C){2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6]){1|S<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH){1|S<2>,2|H<1>,3|C<3>}	122.9090	0.000	1	122.9090	0.000	1	122.9090	0.000	1	119.4875	7.774	4	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<4>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6]){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){4|C<3>}	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	119.4875	7.774	4	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	116.1470	0.000	1	116.1470	0.000	1	116.1470	0.000	1	119.4875	7.774	4	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6]-3:C[5]-4:O[6]-2:	O[6](C[6,6]C[6,6,6a]C[6,6a])(C[6]C[5]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6])	C[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(O[6]C[6,6])	O[6](C[6,6]C[6,6,6a]C[6,6a])(C[6]C[5]C[6]){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|H<1>,3|C<3>}	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.1003	0.428	3	118.1068	0.122	4	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.1260	0.000	1	118.1068	0.122	4	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	118.5680	0.000	1	118.3775	0.073	2	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	118.1870	0.000	1	118.3775	0.073	2	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.9117	0.175	3	118.9117	0.031	3	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.5589	0.408	8	118.4597	0.257	21	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.4305	0.605	11	118.4597	0.257	21	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.2235	0.347	2	118.4597	0.257	21	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	119.9410	0.000	1	120.1480	0.112	4	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	120.2170	0.374	3	120.1480	0.112	4	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH){1|C<4>,1|H<1>,2|C<3>}	119.8490	0.000	1	119.8490	0.000	1	118.6860	0.549	35	118.6860	0.549	35	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:4:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:N-4:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3){1|C<4>,1|H<1>,2|C<3>}	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	118.7770	0.000	1	118.7676	0.036	7	118.9046	0.181	8	118.9046	0.181	8	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	118.7760	0.231	5	118.7676	0.036	7	118.9046	0.181	8	118.9046	0.181	8	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	118.7160	0.000	1	118.7676	0.036	7	118.9046	0.181	8	118.9046	0.181	8	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	119.8640	0.000	1	119.8640	0.000	1	118.9046	0.181	8	118.9046	0.181	8	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	119.2450	0.000	1	119.2450	0.000	1	119.8403	0.354	6	119.8403	0.354	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	119.4960	0.000	1	119.4960	0.000	1	119.8403	0.354	6	119.8403	0.354	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	119.8647	0.521	3	119.8647	0.272	3	119.8403	0.354	6	119.8403	0.354	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]HN)(O[6]C[6,6])(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	120.7070	0.000	1	120.7070	0.000	1	119.8403	0.354	6	119.8403	0.354	6	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:N-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]ClC)(O[6]C[6,6])(NS)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	C[6](C[6]C[6]ClC)(O[6]C[6,6])(NS){1|C<4>,1|H<1>,2|C<3>}	120.1920	0.047	2	120.1920	0.002	2	120.1920	0.002	2	120.1920	0.002	2	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	120.4820	0.000	1	120.4820	0.000	1	119.8925	0.695	2	119.8925	0.695	2	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	3:4:2:	4:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6]C[6]HP)(O[6]C[6,6])(CCC)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HP)(O[6]C[6,6])(CCC){1|C<3>,1|C<4>,2|H<1>}	119.3030	0.000	1	119.3030	0.000	1	119.8925	0.695	2	119.8925	0.695	2	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	4:2:2:	3:2:4:	C[6,6]-3:C[6]-3:	C[3x6]-4:N[6]-2:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6,6]C[3x6]N[6])(C[6]C[6]C)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6])(O[6]C[6])	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	O[6](C[6,6]C[3x6]N[6])(C[6]C[6]C){1|C<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6])(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|H<1>,1|N<2>,2|C<4>}	121.3560	0.000	1	121.3560	0.000	1	121.3560	0.000	1	121.3560	0.000	1	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	4:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	120.4530	0.000	1	120.4530	0.000	1	120.4670	0.000	2	120.4670	0.000	2	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	4:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	120.4810	0.000	1	120.4810	0.000	1	120.4670	0.000	2	120.4670	0.000	2	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	4:3:2:	2:3:2:	C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:O-2:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](O[6]C[6,6])(C[6]C[6]C)(OC)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	4:3:2:	4:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[6,6]2)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	O[6](C[6,6]C[6,6]2)(C[6]C[6]C){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6]){2|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	120.8130	0.330	3	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6,6]	C[6]	3:3:	4:3:2:	4:2:3:	C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	121.1035	0.392	2	121.1035	0.154	2	121.1035	0.154	2	120.8130	0.330	3	119.0794	1.457	74	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	2:2:3:	4:2:1:	C[6]-3:C[6]-3:	O[6]-2:S[6]-2:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]O)(C[6]S[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<3>,2|C<4>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	2:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-2:O[6]-2:C-4:	C[6]-2:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6])(O[6]C[6])(CC3)	C[6](C[6]C[6])(O[6]C[6])(CC3)	O[6](C[6]C[6]C)2{1|C<3>}	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|Br<1>,1|O<1>,3|C<3>}	125.2170	0.000	1	124.8308	1.457	12	124.8308	1.457	12	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	125.1236	1.148	9	124.8308	1.457	12	124.8308	1.457	12	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<1>,4|C<3>}	123.3205	0.035	2	124.8308	1.457	12	124.8308	1.457	12	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6](C[6]C[6,6a]C)(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]C[6]O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(O){1|O<1>,2|C<3>}	124.1577	0.386	4	124.1577	0.149	4	124.1577	0.149	4	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	116.0190	0.000	1	116.0190	0.000	1	113.5563	6.382	6	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(O[6]C[6])(H)	C[6](C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(O[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	114.0950	0.000	1	114.0950	0.000	1	113.5563	6.382	6	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(O[6]C[6])(H)	C[6](C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	113.0660	0.000	1	113.0660	0.000	1	113.5563	6.382	6	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]H)2	C[6](C[6]O[6]H)(O[6]C[6])(H)	C[6](C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2{1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>}	112.7193	3.407	3	112.7193	11.607	3	113.5563	6.382	6	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]O)2	C[6](C[6]C[6]P)(O[6]C[6])(O)	C[6](C[6]C[6]P)(O[6]C[6])(O)	O[6](C[6]C[6]O)2{1|C<3>,2|P<4>}	C[6](C[6]C[6]P)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]P)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	124.0010	0.000	1	124.0010	0.000	1	124.0010	0.000	1	121.7365	26.971	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H){1|C<4>,4|C<3>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|H<1>,2|C<3>}	118.6150	0.000	1	118.6150	0.000	1	118.6150	0.000	1	118.6150	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	117.6878	0.847	5	117.7913	0.639	6	117.7913	0.639	6	121.1099	5.435	22	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	118.3090	0.000	1	117.7913	0.639	6	117.7913	0.639	6	121.1099	5.435	22	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3)	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3){1|S<1>,2|C<3>}	124.0195	0.128	2	124.0195	0.016	2	123.8240	0.123	3	121.1099	5.435	22	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH)	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH){1|S<1>,2|C<3>}	123.4330	0.000	1	123.4330	0.000	1	123.8240	0.123	3	121.1099	5.435	22	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(O[6]C[6])(H)	C[6](C[6]C[6]S)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|S<4>}	C[6](C[6]C[6]Cl)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]S)(O[6]C[6])(CH3){1|C<3>,3|H<1>}	118.7490	0.000	1	118.7490	0.000	1	118.7490	0.000	1	121.1099	5.435	22	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,2|O<1>}	122.2873	0.167	12	122.2873	0.028	12	122.2873	0.028	12	121.1099	5.435	22	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:C-4:O[6]-2:	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6]){1|S<1>,2|C<3>}	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<3>,2|H<1>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	121.9510	3.090	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]O)2	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]O)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,2|C<3>}	122.9630	0.190	2	122.9630	0.036	2	122.9630	0.036	2	121.9510	3.090	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){2|C<3>,2|H<1>}	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:O-2:	C[6]-2:O[6]-2:C-4:	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OCo)	C[6](C[6]C[6,6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]O)(C[6]C[6]C){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OCo){1|C<2>,1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|O<2>}	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	C[6](C[6]C[6,6a]In)(O[6]C[6])(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]H){1|In<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]In)(O[6]C[6])(H){1|O<2>,2|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]N){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	118.9900	9.226	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:O[6]-2:N-2:	O[6](C[6]C[6a]N[6])(C[6]C[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]N[6])(C[6]C[6]N){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|N<2>,2|C<3>}	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	118.9900	9.226	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]N[6]2){2|C<4>,3|C<3>}	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	118.9900	9.226	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[5a,6]N)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	O[6](C[6]C[5a,6]N)(C[6]C[6]N){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	123.5525	0.568	2	123.5525	0.322	2	123.5525	0.322	2	123.5525	0.322	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[5a,6]N)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)	O[6](C[6]C[5a,6]N)(C[6]C[6]C){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|C<4>,4|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3){1|N<2>,2|C<3>}	124.2780	0.000	1	124.2780	0.000	1	124.2780	0.000	1	122.7187	0.785	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]N)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3)	O[6](C[6]C[6,6a]N)(C[6]C[6]C){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3){1|N<2>,4|C<3>}	122.1700	0.000	1	122.1700	0.000	1	122.1700	0.000	1	122.7187	0.785	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OCu)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]O)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OCu){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){1|C<3>,2|O<2>}	122.9350	0.000	1	122.9350	0.000	1	122.7353	0.032	3	122.7187	0.785	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(ONi)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]O)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(ONi){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){1|C<3>,2|O<2>}	122.6830	0.000	1	122.6830	0.000	1	122.7353	0.032	3	122.7187	0.785	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OZn)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]O)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OZn){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){1|C<3>,2|O<2>}	122.5880	0.000	1	122.5880	0.000	1	122.7353	0.032	3	122.7187	0.785	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:N-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)(C[6]C[6]N){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>}	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	122.7187	0.785	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]N[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]N[6])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){1|N<2>,4|C<3>}	119.5560	0.000	1	119.5560	0.000	1	119.2685	0.165	2	119.2685	0.165	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]N[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]N[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|N<2>,2|C<3>}	118.9810	0.000	1	118.9810	0.000	1	119.2685	0.165	2	119.2685	0.165	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:2:	4:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	O[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|N<2>,2|C<3>}	117.7735	0.404	2	117.7735	0.163	2	117.7735	0.163	2	117.7735	0.163	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CNS)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CNS){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|S<1>,2|C<3>}	119.4690	0.018	2	119.4690	0.000	2	119.4690	0.000	2	119.8335	0.168	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	N[5,6]-3:O[6]-2:O-1:	O[6](C[6]N[5,6]O)(C[6]C[6]N)	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	O[6](C[6]N[5,6]O)(C[6]C[6]N){1|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.8060	0.127	2	119.8060	0.016	2	119.8060	0.016	2	119.8335	0.168	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	N[6,6]-3:O[6]-2:O-1:	O[6](C[6]N[6,6]O)(C[6]C[6]N)	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](C[6]N[6,6]O)(C[6]C[6]N){1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.2255	0.497	2	120.2255	0.247	2	120.2255	0.247	2	119.8335	0.168	6	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	119.2725	0.794	2	119.2725	0.631	2	119.8830	1.174	9	119.8830	1.174	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	121.9760	0.000	1	121.9760	0.000	1	119.8830	1.174	9	119.8830	1.174	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	119.6860	0.000	1	119.6860	0.000	1	119.8830	1.174	9	119.8830	1.174	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	120.1363	0.847	3	120.1363	0.717	3	119.8830	1.174	9	119.8830	1.174	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	119.8520	0.000	1	119.8520	0.000	1	119.8830	1.174	9	119.8830	1.174	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	118.4790	0.000	1	118.4790	0.000	1	119.8830	1.174	9	119.8830	1.174	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	119.9045	0.957	2	119.9045	0.915	2	119.9045	0.915	2	119.9045	0.915	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){3|C<3>}	120.0040	0.000	1	120.0040	0.000	1	118.8885	2.489	2	118.8885	2.489	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	117.7730	0.000	1	117.7730	0.000	1	118.8885	2.489	2	118.8885	2.489	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	3:3:2:	C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C-3:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	122.2790	0.000	1	122.2790	0.000	1	122.2790	0.000	1	122.2790	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|H<1>,3|C<3>}	120.5410	0.000	1	120.5410	0.000	1	120.5505	0.463	8	120.5505	0.463	8	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	119.5910	0.000	1	119.5910	0.000	1	120.5505	0.463	8	120.5505	0.463	8	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|H<1>,5|C<3>}	121.2335	0.128	2	121.2335	0.016	2	120.5505	0.463	8	120.5505	0.463	8	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|H<1>,5|C<3>}	120.1340	0.248	3	120.1340	0.062	3	120.5505	0.463	8	120.5505	0.463	8	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHH)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){2|C<3>}	121.4030	0.000	1	121.4030	0.000	1	120.5505	0.463	8	120.5505	0.463	8	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCC)	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCC){1|H<1>,3|C<3>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<5>,1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	120.4215	0.018	2	120.0390	0.284	5	120.0390	0.284	5	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<6>,1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.7840	0.569	3	120.0390	0.284	5	120.0390	0.284	5	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:F-1:	O[6](C[6]C[6]C)(C[6]C[6]F)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(F)	O[6](C[6]C[6]C)(C[6]C[6]F){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(F){1|C<3>,1|C<4>,2|H<1>}	117.0280	0.000	1	117.0280	0.000	1	117.0280	0.000	1	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	120.6240	0.000	1	120.6240	0.000	1	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	120.0780	0.579	8	119.9829	0.304	10	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<1>}	119.6025	0.162	2	119.9829	0.304	10	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	120.1463	0.864	10	120.3650	0.586	37	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<1>}	119.8920	0.477	2	120.3650	0.586	37	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	120.3095	0.750	19	120.3650	0.586	37	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Se<2>,1|C<3>,1|C<4>}	121.0630	0.159	6	120.3650	0.586	37	120.2908	0.534	48	120.2071	0.695	54	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-2:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(NC)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NC){1|C<4>,1|H<1>,2|C<3>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	122.1973	1.145	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-2:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]B)(O[6]C[6])(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6]C)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.1973	1.145	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:S-2:	O[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(SW)	O[6](C[6]C[6]C)(C[6]C[6]S){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]C)(O[6]C[6])(SW){1|C<3>,2|C<4>}	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	122.1973	1.145	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	120.1770	0.312	5	120.1410	0.086	6	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	119.9610	0.000	1	120.1410	0.086	6	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	120.1570	0.000	1	120.1570	0.000	1	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CClHH)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CClHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	119.4890	0.000	1	119.4890	0.000	1	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	119.9410	0.000	1	119.9410	0.000	1	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	119.9575	0.282	2	119.7776	0.109	14	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	119.7476	0.339	12	119.7776	0.109	14	119.8834	0.120	23	119.8834	0.120	23	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	120.0510	0.000	1	120.0510	0.000	1	119.0735	1.997	19	119.0735	1.997	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	118.4485	1.471	11	118.4485	2.165	11	119.0735	1.997	19	119.0735	1.997	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>}	120.6140	0.177	2	119.9159	0.680	7	119.0735	1.997	19	119.0735	1.997	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	119.6366	0.819	5	119.9159	0.680	7	119.0735	1.997	19	119.0735	1.997	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[5,6]C)(C[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	121.1405	0.250	2	121.1405	0.062	2	121.1405	0.062	2	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)(C[6]C[6]C){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,3|C<3>}	121.0260	0.000	1	121.0260	0.000	1	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	120.0560	0.000	1	120.0560	0.000	1	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	120.6460	0.000	1	120.6460	0.000	1	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<2>,1|C<4>,2|C<3>}	121.2450	0.000	1	121.2095	0.003	2	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	121.1740	0.000	1	121.2095	0.003	2	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	118.5840	0.000	1	118.5840	0.000	1	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6]CS)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CS)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	119.0820	0.420	2	119.0820	0.176	2	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	120.1103	2.178	6	120.1103	4.744	6	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.9350	0.000	1	120.9350	0.000	1	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(O[6]C[6])(CH3){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>}	122.0700	0.000	1	122.0700	0.000	1	120.2851	2.395	16	120.4542	2.175	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:S-1:	O[6](C[6]C[5a]C[6])(C[6]C[6,6a]S)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[5a]C[6])(C[6]C[6,6a]S){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6]){1|H<1>,1|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	122.4470	0.000	2	122.4470	0.000	2	122.4470	0.000	2	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:Br-1:	O[6](C[6]C[5a]C[6])(C[6]C[6]Br)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(Br)	O[6](C[6]C[5a]C[6])(C[6]C[6]Br){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6]){1|Br<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(Br){1|H<1>,3|C<3>}	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:H-1:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|H<1>,4|C<3>}	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:S-1:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|Cl<1>,1|H<1>,1|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	123.2470	0.000	1	123.7772	0.161	9	123.7772	0.161	9	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:S-1:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	123.8435	0.372	8	123.7772	0.161	9	123.7772	0.161	9	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H){5|C<3>}	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[5]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:	O[6](C[6]C[6]N[5])(C[6]N[5,6]O)	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6])	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[6]N[5])(C[6]N[5,6]O){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.4810	0.000	1	119.6285	0.044	2	119.6285	0.044	2	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[5]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:	O[6](C[6]C[6]N[5])(C[6]N[5,6]O)	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6])	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	O[6](C[6]C[6]N[5])(C[6]N[5,6]O){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.7760	0.000	1	119.6285	0.044	2	119.6285	0.044	2	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[6]C[6,6a]O)(C[6]N[6]C)	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6,6a]O)(C[6]N[6]C){1|Ni<4>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|N<3>,4|C<3>}	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	122.0372	5.903	17	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	O[6](C[6]C[6,6a]C[5])(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]C[5])(C[6]C[6a]N[6]){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6]){1|H<1>,1|N<2>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC){1|H<1>,4|C<3>}	122.5870	0.000	1	122.5870	0.000	1	122.2708	0.704	6	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	120.9610	0.000	1	120.9610	0.000	1	122.2708	0.704	6	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	122.4240	0.000	1	122.4240	0.000	1	122.2708	0.704	6	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	121.6140	0.000	1	121.6140	0.000	1	122.2708	0.704	6	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|H<1>,4|C<3>}	123.2730	0.000	1	123.2730	0.000	1	122.2708	0.704	6	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|I<1>,4|C<3>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	122.7660	0.000	1	122.7660	0.000	1	122.2708	0.704	6	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-2:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]O){1|I<1>,4|C<3>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){1|H<1>,1|N<2>,3|C<3>}	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]N[5a,6]N)	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]C[6])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a]){5|C<3>}	123.3450	0.000	1	123.3450	0.000	1	123.3450	0.000	1	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:N-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS)	O[6](C[6]C[6a]C[6])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS){1|H<1>,4|C<3>}	124.9880	0.000	1	124.9880	0.000	1	124.9880	0.000	1	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:O-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]B)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]B)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|H<1>,2|C<3>}	122.5085	0.716	2	122.5085	0.513	2	122.0183	0.977	3	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:O-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|In<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]In)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){3|C<3>}	121.0380	0.000	1	121.0380	0.000	1	122.0183	0.977	3	121.9175	3.492	13	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	123.3460	0.000	1	122.1060	1.159	3	122.1060	1.159	3	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|S<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	121.4860	0.105	2	122.1060	1.159	3	122.1060	1.159	3	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,4|C<3>}	123.1050	0.000	1	123.1050	0.000	1	122.8545	0.126	2	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP){1|H<1>,4|C<3>}	122.6040	0.000	1	122.6040	0.000	1	122.8545	0.126	2	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-3:	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|I<1>,4|C<3>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	123.2590	0.000	1	123.2590	0.000	1	123.2590	0.000	1	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC){1|H<1>,5|C<3>}	117.8065	0.449	2	117.8065	0.202	2	118.7897	1.357	4	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	119.7730	0.051	2	119.7730	0.003	2	118.7897	1.357	4	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6a]C[6])(C[6]C[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	119.1210	0.000	1	119.1210	0.000	1	120.4331	0.405	8	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6]C[6a]C[6])(C[6]C[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	120.6206	0.380	7	120.6206	0.144	7	120.4331	0.405	8	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	N[6]-3:O[6]-2:N-3:	O[6](C[6]C[6a]C[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](N[6]C[6]H)(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	119.0160	0.000	1	119.0160	0.000	1	119.0160	0.000	1	120.6803	2.728	19	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){3|C<3>}	119.1470	0.000	1	119.1470	0.000	1	119.1470	0.000	1	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){2|C<4>,3|C<3>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	119.7110	0.000	1	119.6423	0.015	3	121.1316	1.999	7	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	119.7160	0.000	1	119.6423	0.015	3	121.1316	1.999	7	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	119.5000	0.000	1	119.6423	0.015	3	121.1316	1.999	7	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<1>,2|C<3>}	121.8910	0.000	1	122.2485	0.107	4	121.1316	1.999	7	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<2>,2|C<3>}	122.3677	0.275	3	122.2485	0.107	4	121.1316	1.999	7	120.6929	2.257	9	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6])	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5a,6]C[5a])(C[6]C[6a]C[6]){2|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6]){1|Zn<5>,1|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,7|C<3>}	121.8380	0.229	2	121.8380	0.052	2	121.8380	0.052	2	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6]C[6a])(C[6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	118.1210	0.382	2	118.1210	0.146	2	118.1210	0.146	2	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]C[5])(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6])	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[5])(C[6]C[6a]C[6]){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Au<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	123.4430	0.000	1	123.4835	0.003	2	123.4835	0.003	2	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Au<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	123.5240	0.000	1	123.4835	0.003	2	123.4835	0.003	2	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	121.7700	0.000	1	122.0735	0.184	2	120.5364	5.872	21	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	122.3770	0.000	1	122.0735	0.184	2	120.5364	5.872	21	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	121.5000	0.502	2	120.2647	6.881	17	120.5364	5.872	21	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	120.1000	2.757	15	120.2647	6.881	17	120.5364	5.872	21	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6])2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6]){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	121.3090	0.004	2	121.3090	0.000	2	120.5364	5.872	21	120.6518	5.552	28	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	3:4:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C-4:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[5a]C[6])(C[6]C[6,6]O)	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[5a]C[6])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]C[6a])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6,6]C[6a]C)(O[6]C[6])(O)	O[6](C[6]C[6,6]C[6a])(C[6]C[6]O){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]C)(O[6]C[6])(O){1|H<1>,5|C<3>}	122.6740	0.000	1	122.6740	0.000	1	122.6740	0.000	1	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[3,6]O)	C[6](C[6]C[3,5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[3,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[3,5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	123.2150	0.000	1	123.2150	0.000	1	123.2150	0.000	1	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){3|H<1>,4|C<3>}	122.6565	0.073	2	122.6565	0.005	2	122.2339	0.164	8	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	122.3187	0.107	4	122.0930	0.133	6	122.2339	0.164	8	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	121.6415	0.134	2	122.0930	0.133	6	122.2339	0.164	8	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]O)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	121.2710	0.000	1	121.0350	0.111	2	120.8992	0.173	4	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]O)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|S<2>,2|H<1>,4|C<3>}	120.7990	0.000	1	121.0350	0.111	2	120.8992	0.173	4	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6,6]O)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	120.7635	0.578	2	120.7635	0.334	2	120.8992	0.173	4	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	120.5790	0.000	1	121.0080	0.368	2	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	121.4370	0.000	1	121.0080	0.368	2	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	121.3305	0.357	2	121.3305	0.128	2	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	120.3530	0.000	1	120.1835	0.515	8	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|P<4>,2|C<3>}	120.7820	0.000	1	120.1835	0.515	8	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	121.4920	0.000	1	120.1835	0.515	8	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	119.7793	0.463	4	120.1835	0.515	8	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	119.7240	0.000	1	120.1835	0.515	8	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]CN)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|H<1>,3|C<3>}	120.3930	0.000	1	120.3930	0.000	1	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|H<1>,5|C<3>}	120.7640	0.000	1	120.7640	0.000	1	120.5216	0.529	14	121.1809	1.169	29	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:3:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[5a]C[6])(C[6]C[6]C)	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6])	C[6](C[6]S[6]HH)(O[6]C[6])(CCH)	O[6](C[6]C[5a]C[6])(C[6]C[6]C){1|C<3>,2|H<1>,3|S<2>}	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(CCH){2|C<3>}	122.6410	0.000	1	122.6410	0.000	1	122.6410	0.000	1	121.5643	0.980	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:3:	C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC){1|H<1>,3|C<3>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	121.5643	0.980	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:C-3:	O[6](C[6]C[6a]C[6])(C[6]C[5,6]C)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]C){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH){1|N<3>,3|C<3>,3|H<1>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	121.5643	0.980	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6])(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]C[6])(C[6]C[6]2){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:S-1:	O[6](C[6]C[6,6a]S)(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[6,6a]S)(C[6]C[6]2){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6]){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	123.9240	0.000	2	123.9240	0.000	2	123.9240	0.000	2	123.9240	0.000	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	O[6](C[6]C[6,6a]N)(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	O[6](C[6]C[6,6a]N)(C[6]C[6]2){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,1|H<1>,3|C<3>}	122.7680	0.000	1	122.7680	0.000	1	122.7680	0.000	1	122.7680	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	3:4:2:	4:2:3:	C[6]-3:C[6]-3:	C[6]-3:C-4:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	O[6]-2:S[6]-2:C-3:	O[6](C[6]C[6]O)(C[6]S[6]C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|N<2>,1|S<2>,3|C<3>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|N<2>,1|O<1>}	120.4060	0.000	1	120.9045	0.497	2	120.9045	0.497	2	120.9045	0.497	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	O[6]-2:S[6]-2:C-3:	O[6](C[6]C[6]O)(C[6]S[6]C)	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|S<1>,1|S<2>,3|C<3>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|O<1>,1|S<1>}	121.4030	0.000	1	120.9045	0.497	2	120.9045	0.497	2	120.9045	0.497	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]O)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]N[6]O)(O[6]C[6])(O)	O[6](C[6]C[6]O)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(O[6]C[6])(O){1|O<1>,2|C<4>}	121.1500	0.000	1	121.1500	0.000	1	121.1500	0.000	1	122.8205	1.600	4	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](N[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	124.2140	0.000	1	124.2140	0.000	1	123.3773	0.540	3	122.8205	1.600	4	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	122.9590	0.174	2	122.9590	0.030	2	123.3773	0.540	3	122.8205	1.600	4	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6,6]O)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	O[6](C[6]C[5,6]O)(C[6]C[6]C){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|C<4>}	120.6880	0.358	2	120.6880	0.128	2	120.6880	0.128	2	120.9243	0.232	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6,6]C[6]3)(O[6]C[6])(O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]O)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(O[6]C[6])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|O<1>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	120.9243	0.232	3	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6]C[5,6]O)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	O[6](C[6]C[5,6]O)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	122.4550	0.104	3	122.4550	0.011	3	122.4550	0.011	3	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]O)2	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(O)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6,6]O)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(O){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(O){1|O<1>,3|C<4>,3|H<1>}	124.8505	0.224	2	124.8505	0.050	2	124.8505	0.050	2	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6]H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>}	110.5680	0.000	1	110.5680	0.000	1	111.6985	2.556	2	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6]H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]H)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>}	112.8290	0.000	1	112.8290	0.000	1	111.6985	2.556	2	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[6]CC)(O[6]C[6])(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	O[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|H<1>}	115.1650	0.402	2	115.1650	0.161	2	115.1650	0.161	2	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]O)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]O)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	124.4320	0.000	1	124.4320	0.000	1	124.7293	0.093	3	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]O)2	C[6](C[6]C[6]N[5]H)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[6]O)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	124.8780	0.231	2	124.8780	0.053	2	124.7293	0.093	3	120.4151	28.884	12	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-4:C[6]-2:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	O[6](C[6]C[5a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6])	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[5a]C[6])(C[6]C[6]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:2:	4:2:3:	C[6]-3:C[6]-3:	C[3x6]-4:N[6]-2:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[3x6]N[6])(C[6]C[6]C)	C[6](C[3x6]C[6,6]3)(N[6]N[6])(O[6]C[6])	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	O[6](C[6]C[3x6]N[6])(C[6]C[6]C){1|H<1>,1|N<3>,4|C<4>}	C[6](C[3x6]C[6,6]3)(N[6]N[6])(O[6]C[6]){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,1|N<2>}	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:3:	2:2:2:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	O[6]-2:O[6]-2:O-2:	O[6](C[6]C[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH)	C[6](O[6]B[6])(O[6]C[6])(OC)	O[6](C[6]C[6]C)(C[6]O[6]O){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH){2|O<2>,4|C<3>}	C[6](O[6]B[6])(O[6]C[6])(OC){1|C<4>,3|C<3>}	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:3:	2:2:3:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	O[6]-2:O[6]-2:N-3:	O[6](C[6]C[6]C)(C[6]O[6]N)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH)	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2)	O[6](C[6]C[6]C)(C[6]O[6]N){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH){1|N<3>,1|O<2>,4|C<3>}	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2){1|C<4>,3|C<3>}	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	N[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHH)	C[6](N[6]C[6]H)(O[6]C[6])(O)	O[6](C[6]C[6]C)(C[6]N[6]O){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	121.5080	0.600	2	121.5080	0.360	2	121.5080	0.360	2	121.5080	0.360	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	C[6]-3:O[6]-2:C-3:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCC)	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,2|C<4>}	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]C)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6]C)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	121.6695	0.820	2	121.6695	0.672	2	121.6695	0.672	2	121.6695	0.672	2	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	4:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:O[6]-2:C-4:	C[6]-3:O[6]-2:H-1:	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]GdO)(O[6]C[6])(CHHN)	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H){1|Gd<16>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]GdO)(O[6]C[6])(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Gd<16>,1|O<2>,2|C<4>}	119.0563	0.492	4	119.0563	0.242	4	119.0563	0.242	4	119.0563	0.242	4	120.7145	5.384	377	120.2563	5.132	491
622	762	762	6:SP2_SP2_SP2	O[6]	C[6]	C[6]	3:3:	6:2:1:	3:3:2:	C[6]-3:C[6]-3:	C[5x3,5x5,21x6]-6:O[6]-2:O-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[5x3,5x5,21x6]O)(C[6]C[6a]C[6])	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(O[6]C[6])(O)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5x3,5x5,21x6]O)(C[6]C[6a]C[6]){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(O[6]C[6])(O){2|C<3>,4|H<1>,5|B<6>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<6>,1|O<1>,2|C<3>,2|H<1>,4|B<6>}	128.1820	0.000	1	128.1820	0.000	1	128.1820	0.000	1	128.1820	0.000	1	120.7145	5.384	377	120.2563	5.132	491
622	762	786	6:SP2_SP2_SP3	O[6]	C[6]	B[5,6]	4:3:	2:3:2:	3:2:2:2:	B[5,6]-4:C[6]-3:	O[6]-2:C[6]-3:O-2:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	O[6](B[5,6]N[6]O[5]2)(C[6]C[6]O)	C[6](O[6]B[5,6])(C[6]N[6]H)(OC)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	O[6](B[5,6]N[6]O[5]2)(C[6]C[6]O){1|H<1>,1|N<2>,1|P<3>,2|C<4>}	C[6](O[6]B[5,6])(C[6]N[6]H)(OC){1|N<3>,2|O<2>}	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	121.2685	2.331	2	121.2685	5.435	2	121.2685	5.435	2	121.2685	5.435	2	121.2685	5.435	2	121.2685	5.435	2
622	762	811	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6,6a]	4:3:	3:2:4:	3:3:2:2:	B[6,6,6a]-4:C[6]-3:	N[6,6a]-3:O[6]-2:C-4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	122.6450	0.281	2	122.6450	0.079	2	121.3785	2.370	4	121.3785	2.370	4	121.3785	2.370	4	122.0316	5.459	7
622	762	811	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6,6a]	4:3:	3:2:4:	3:3:2:2:	B[6,6,6a]-4:C[6]-3:	N[6,6a]-3:O[6]-2:C-4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	120.1120	0.785	2	120.1120	0.616	2	121.3785	2.370	4	121.3785	2.370	4	121.3785	2.370	4	122.0316	5.459	7
622	762	811	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6a]	4:3:	3:3:2:	3:2:2:2:	B[6,6a]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a])	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6]){7|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	122.9023	3.291	3	122.9023	10.830	3	122.9023	10.830	3	122.9023	10.830	3	122.9023	10.830	3	122.0316	5.459	7
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:4:2:	C[5,6]-3:C[6]-3:	O[6]-2:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	2:3:2:	3:3:2:	C[5,6]-3:C[6]-3:	O[6]-2:C[6]-3:N-2:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[6](O[6]C[5,6])(C[6]C[6]C)(NH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|N<3>,1|O<1>,2|C<4>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NH){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	115.1110	0.000	1	115.1110	0.000	1	114.6695	0.390	2	114.6695	0.390	2	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	2:3:2:	3:3:2:	C[5,6]-3:C[6]-3:	O[6]-2:C[6]-3:N-2:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,2|N<2>}	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6]){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	114.2280	0.000	1	114.2280	0.000	1	114.6695	0.390	2	114.6695	0.390	2	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	2:3:3:	3:4:2:	C[5,6]-3:C[6]-3:	O[6]-2:C[6]-3:N-3:	C[5,6]-3:C[5]-4:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	116.2675	0.559	2	116.2675	0.313	2	116.2675	0.313	2	116.2675	0.313	2	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	O[6]-2:C[6]-3:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	113.0570	0.000	1	113.0570	0.000	1	113.0570	0.000	1	113.0570	0.000	1	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	3:2:3:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	3:2:3:	3:4:2:	C[5,6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[5,6]-3:C[5]-4:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	116.7590	0.532	2	116.7590	0.283	2	116.7590	0.283	2	116.7590	0.283	2	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	4:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.5160	0.000	1	116.5160	0.000	1	116.1340	0.292	2	116.3688	0.189	4	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	4:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6](C[6]C[6]CN)(O[6]C[5,6])(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O){1|O<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]CN)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	115.7520	0.000	1	115.7520	0.000	1	116.1340	0.292	2	116.3688	0.189	4	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	4:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	116.6035	0.235	2	116.6035	0.055	2	116.6035	0.055	2	116.3688	0.189	4	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	4:2:3:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	115.8435	0.385	2	115.8435	0.149	2	115.8435	0.149	2	115.2077	1.287	3	115.6549	1.303	17	115.6549	1.303	17
622	762	818	6:SP2_SP2_SP2	O[6]	C[6]	C[5,6]	3:3:	4:2:3:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-4:O[6]-2:C-3:	C[5,6]-3:N[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6])	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	115.2077	1.287	3	115.6549	1.303	17	115.6549	1.303	17
622	762	849	6:SP2_SP2_SP3	O[6]	C[6]	P[6]	3:4:	3:2:1:	2:2:1:1:	C[6]-3:P[6]-4:	C[6,6a]-3:O[6]-2:O-1:	O[6]-2:O[6]-2:H-1:O-1:	O[6](C[6]C[6,6a]O)(P[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	P[6](O[6]C[6,6a])(O[6]C[6])(H)(O)	O[6](C[6]C[6,6a]O)(P[6]O[6]HO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	P[6](O[6]C[6,6a])(O[6]C[6])(H)(O){1|O<1>,2|C<3>}	126.4630	0.000	1	126.4630	0.000	1	126.4630	0.000	1	126.4630	0.000	1	122.9288	6.028	5	122.9288	6.028	5
622	762	849	6:SP2_SP2_SP3	O[6]	C[6]	P[6]	3:4:	3:3:2:	4:2:2:1:	C[6]-3:P[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-2:O-1:	O[6](C[6]C[6a]C[6])(P[6]C[6]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]P[6])	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O)	O[6](C[6]C[6a]C[6])(P[6]C[6]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]P[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O){1|H<1>,5|C<3>}	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	122.9288	6.028	5	122.9288	6.028	5
622	762	849	6:SP2_SP2_SP3	O[6]	C[6]	P[6]	4:3:	3:2:4:	3:2:1:1:	P[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:Cl-1:O-1:	O[6](P[6]N[6]ClO)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]P[6])(CH3)	P[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)(O)	O[6](P[6]N[6]ClO)(C[6]C[6]C){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(O[6]P[6])(CH3){1|Cl<1>,1|N<3>,2|O<1>}	P[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)(O){1|C<4>,1|O<1>,3|C<3>}	122.9820	0.000	1	122.9820	0.000	1	122.9820	0.000	1	122.9820	0.000	1	122.9288	6.028	5	122.9288	6.028	5
622	762	849	6:SP2_SP2_SP3	O[6]	C[6]	P[6]	4:3:	3:3:2:	3:2:2:1:	P[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-2:O-1:	O[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O)	O[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O){1|H<1>,4|C<3>}	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.9288	6.028	5	122.9288	6.028	5
622	762	849	6:SP2_SP2_SP3	O[6]	C[6]	P[6]	4:3:	3:3:2:	3:3:2:1:	P[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	O[6](P[6]C[6,6a]C[6a]O)(C[6]C[6a]C[6])	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O)	O[6](P[6]C[6,6a]C[6a]O)(C[6]C[6a]C[6]){7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]P[6]){1|O<1>,2|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O){3|H<1>,6|C<3>}	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	122.9288	6.028	5	122.9288	6.028	5
622	762	855	6:SP2_SP2_SPD6	O[6]	C[6]	Si[6,6]	6:3:	2:2:4:	4:4:2:2:1:1:	Si[6,6]-6:C[6]-3:	O[6]-2:N[6]-2:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){2|Cl<1>,1|O<2>,4|C<4>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	122.1215	0.599	2	122.1215	0.359	2	122.1215	0.359	2	122.1215	0.359	2	124.7943	4.217	7	124.7943	4.217	7
622	762	855	6:SP2_SP2_SPD6	O[6]	C[6]	Si[6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	125.1207	0.558	3	125.1207	0.311	3	125.8634	1.235	5	125.8634	1.235	5	124.7943	4.217	7	124.7943	4.217	7
622	762	855	6:SP2_SP2_SPD6	O[6]	C[6]	Si[6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	126.9775	0.425	2	126.9775	0.181	2	125.8634	1.235	5	125.8634	1.235	5	124.7943	4.217	7	124.7943	4.217	7
622	762	856	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	3:3:	4:2:1:	3:2:4:	C[6]-3:N[6]-3:	C[6]-4:O[6]-2:O-1:	C[6]-3:O[6]-2:C-4:	O[6](C[6]C[6]O)(N[6]C[6]C)	C[6](C[6]N[6]CH)(O[6]N[6])(O)	N[6](C[6]N[6]O)(O[6]C[6])(CH3)	O[6](C[6]C[6]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]N[6])(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>}	116.1220	1.918	2	116.1220	3.677	2	116.1220	3.677	2	116.1220	3.677	2	116.5927	1.674	4	116.5927	1.674	4
622	762	856	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	3:3:	4:2:1:	3:4:2:	N[6]-3:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6,6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	O[6](N[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	117.0635	0.677	2	117.0635	0.458	2	117.0635	0.458	2	117.0635	0.458	2	116.5927	1.674	4	116.5927	1.674	4
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:2:2:	4:2:3:1:	C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6])	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	125.7710	0.000	1	125.7710	0.000	1	125.7710	0.000	1	125.7710	0.000	1	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6])	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6]){2|Br<1>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	122.1570	0.000	1	122.1570	0.000	1	122.2510	0.018	2	121.0090	4.637	3	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6]){1|Ir<6>,1|C<3>,1|H<1>,2|F<1>,2|O<2>}	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	122.3450	0.000	1	122.3450	0.000	1	122.2510	0.018	2	121.0090	4.637	3	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6,6]-3:B[6]-4:	N[6]-3:C[6,6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6,6]C[6,6]N[6])(B[6]O[6]FF)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6])	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]N[6])(B[6]O[6]FF){1|C<4>,1|H<1>,2|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|C<3>,1|C<4>,1|N<3>}	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	121.0090	4.637	3	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6]-3:B[6]-4:	C[6,6]-3:N[6]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6]C[6,6]N[6])(B[6]N[5,6]FF)	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2	O[6](C[6,6]C[6,6]N[6])(B[6]N[5,6]FF){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6]){1|S<2>,2|N<3>,4|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2{1|N<3>,1|S<2>,3|C<3>}	126.4610	0.117	2	126.4610	0.014	2	126.4610	0.014	2	125.9135	0.670	4	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6,6]C[6,6a]C[6,6])(B[6]N[6,6]FF)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	O[6](C[6,6]C[6,6a]C[6,6])(B[6]N[6,6]FF){5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	125.3660	0.892	2	125.3660	0.796	2	125.3660	0.796	2	125.9135	0.670	4	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	3:3:2:	3:3:2:2:	C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2O[6])	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2O[6]){1|N<3>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6]){1|O<2>,5|H<1>,6|C<3>}	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6,6]	B[6]	3:4:	4:2:2:	3:3:4:2:	C[6,6]-3:B[6]-4:	P[6,6]-4:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](C[6,6]P[6,6]O[6])(B[6]C[6a]2C[6])	C[6,6](P[6,6]C[6a]C[6]2)(O[6]B[6])2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]P[6,6]O[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](P[6,6]C[6a]C[6]2)(O[6]B[6])2{2|C<4>,4|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	122.8985	9.630	2	122.8985	92.739	2	122.8985	92.739	2	122.8985	92.739	2	123.1116	20.672	11	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[3x6]	4:3:	2:3:1:	4:4:3:2:	B[3x6]-4:C[6]-3:	O[6]-2:N[6]-3:O-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]O)	C[6](O[6]B[3x6])(N[6]C[6]C)(O)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]O){1|C<3>,2|H<1>,6|C<4>}	C[6](O[6]B[3x6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<4>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	121.8735	2.295	2	121.8735	5.265	2	121.8735	5.265	2	121.8735	5.265	2	120.9610	5.130	3	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[3x6]	4:3:	3:2:4:	3:4:4:2:	B[3x6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3)	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3){1|C<3>,1|N<3>,2|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	119.1360	0.000	1	119.1360	0.000	1	119.1360	0.000	1	119.1360	0.000	1	120.9610	5.130	3	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6]	4:3:	2:2:4:	2:3:2:2:	B[6,6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	C[6](O[6]B[6,6])2(CC[6a]HH)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	C[6](O[6]B[6,6])2(CC[6a]HH){2|C<3>,3|O<2>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	119.1735	1.833	4	119.2365	2.448	8	119.2365	2.448	8	119.2365	2.448	8	118.8474	1.535	28	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6]	4:3:	2:2:4:	2:3:2:2:	B[6,6]-4:C[6]-3:	O[6]-2:O[6]-2:C-4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	C[6](O[6]B[6,6])2(CC[6a]HH)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	C[6](O[6]B[6,6])2(CC[6a]HH){2|C<3>,3|O<2>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	119.2995	1.530	4	119.2365	2.448	8	119.2365	2.448	8	119.2365	2.448	8	118.8474	1.535	28	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6]	4:3:	2:3:4:	4:4:2:2:	B[6,6]-4:C[6]-3:	O[6]-2:C[6]-3:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C)	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3)	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3){1|O<2>,3|C<4>}	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	118.9822	0.241	4	118.9822	0.058	4	118.9822	0.058	4	118.9822	0.058	4	118.8474	1.535	28	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6]	4:3:	3:2:2:	2:3:2:2:	B[6,6]-4:C[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(O[6]B[6,6])2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|F<1>,3|O<2>,4|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	118.5755	0.911	4	118.9569	1.396	12	118.9569	1.396	12	118.9569	1.396	12	118.8474	1.535	28	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6]	4:3:	3:2:2:	2:3:2:2:	B[6,6]-4:C[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(O[6]B[6,6])2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|H<1>,3|O<2>,4|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	119.1476	1.309	8	118.9569	1.396	12	118.9569	1.396	12	118.9569	1.396	12	118.8474	1.535	28	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6]	4:3:	3:2:2:	3:2:2:1:	B[6,6]-4:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[3x6]-3:O[6]-2:O[6]-2:F-1:	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6])	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F)	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6]){5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6]){1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F){2|N<2>,4|C<3>}	117.6058	0.628	4	117.6058	0.395	4	117.6058	0.395	4	117.6058	0.395	4	118.8474	1.535	28	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6]-3:O[6]-2:O-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	122.6130	0.000	1	122.6130	0.000	1	122.3425	0.146	2	122.3425	0.146	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6]-3:O[6]-2:O-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	C[6](C[6,6]C[6,6]N[6])(O[6]B[6])(OIr)	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(O[6]B[6])(OIr){1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	122.0720	0.000	1	122.0720	0.000	1	122.3425	0.146	2	122.3425	0.146	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:N[6]-2:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){4|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	121.9635	0.373	2	121.9635	0.139	2	121.9397	0.071	3	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:N[6]-2:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.9397	0.071	3	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	125.6255	0.367	2	125.4938	0.658	9	125.4753	0.520	22	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	125.1103	1.132	4	125.4938	0.658	9	125.4753	0.520	22	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	125.9173	0.253	3	125.4938	0.658	9	125.4753	0.520	22	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	125.4625	0.687	13	125.4625	0.471	13	125.4753	0.520	22	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	122.4590	0.000	1	122.4590	0.000	1	123.9719	1.606	8	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	122.9460	0.251	3	122.9460	0.063	3	123.9719	1.606	8	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:N[6]-2:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	125.1195	0.366	4	125.1195	0.134	4	123.9719	1.606	8	124.7894	1.949	33	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:3:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6a]-3:O[6]-2:C-3:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	122.8150	1.006	4	122.7070	0.818	5	122.7593	0.671	6	122.7593	0.671	6	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:3:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6a]-3:O[6]-2:C-3:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|O<1>,1|O<2>,2|F<1>,2|N<3>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<3>,2|C<3>}	122.2750	0.000	1	122.7070	0.818	5	122.7593	0.671	6	122.7593	0.671	6	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:3:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6a]-3:O[6]-2:C-3:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	123.0210	0.000	1	123.0210	0.000	1	122.7593	0.671	6	122.7593	0.671	6	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:3:	2:2:2:2:	C[6]-3:B[6]-4:	C[6,6a]-3:O[6]-2:C-3:	O[6]-2:O[6]-2:O-2:O-2:	O[6](C[6]C[6,6a]C)(B[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2	O[6](C[6]C[6,6a]C)(B[6]O[6]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,2|C<3>,3|O<2>}	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:4:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6]-3:O[6]-2:C-4:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6]C)(B[6]O[6]FF)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6,6]C)(B[6]O[6]FF){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|C<3>,1|C<4>,1|N<3>}	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	120.6615	4.845	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:2:4:	2:2:1:1:	C[6]-3:B[6]-4:	C[6,6a]-3:O[6]-2:N-4:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6,6a]N)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]N)(B[6]O[6]FF){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<4>,2|C<3>}	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	120.6615	4.845	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,3|F<1>}	B[6](O[6]C[6])2(F)2{3|C<3>}	119.0810	0.054	2	119.0810	0.003	2	119.0810	0.003	2	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	121.9550	0.054	2	121.9550	0.003	2	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	B[6](O[6]C[6])2(F)2{3|C<3>}	122.1887	0.622	3	122.1887	0.386	3	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	121.1304	1.541	47	121.0896	2.834	99	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	122.2340	0.000	1	121.0896	2.834	99	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	121.6537	1.992	12	121.0896	2.834	99	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	B[6](O[6]C[6])2(F)2{3|C<3>}	120.4062	2.299	10	121.0896	2.834	99	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,2|F<1>,2|O<2>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	119.2940	0.061	2	121.0896	2.834	99	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	121.1115	1.530	27	121.0896	2.834	99	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|N<3>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	123.1616	1.588	10	123.1616	2.521	10	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	119.6147	0.253	3	119.6147	0.064	3	121.2718	3.035	117	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	123.1950	1.492	3	122.5036	1.103	69	122.5036	1.103	69	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	122.4380	1.120	3	122.5036	1.103	69	122.5036	1.103	69	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](O[6]C[6])2(F)2{1|S<2>,2|C<3>}	121.9810	0.000	1	122.5036	1.103	69	122.5036	1.103	69	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](O[6]C[6])2(F)2{3|C<3>}	122.4892	1.049	60	122.5036	1.103	69	122.5036	1.103	69	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,4|F<1>}	B[6](O[6]C[6])2(F)2{3|C<3>}	121.4630	0.000	1	122.5036	1.103	69	122.5036	1.103	69	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	B[6](O[6]C[6])2(F)2{1|O<2>,2|C<3>}	123.0520	0.000	1	122.5036	1.103	69	122.5036	1.103	69	121.7006	2.710	188	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	2:2:2:2:	C[6]-3:B[6]-4:	C[5a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:O-2:O-2:	O[6](C[6]C[5a]C[6])(B[6]O[6]OO)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(OC[6a])2	O[6](C[6]C[5a]C[6])(B[6]O[6]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	B[6](O[6]C[6])2(OC[6a])2{3|C<3>}	118.2235	0.795	2	118.2235	0.633	2	118.2235	0.633	2	118.2235	0.633	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	127.0887	0.992	3	127.0887	0.983	3	127.1069	0.618	11	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	127.6567	0.764	3	127.1137	0.601	8	127.1069	0.618	11	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	127.2440	0.060	3	127.1137	0.601	8	127.1069	0.618	11	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	126.1040	0.249	2	127.1137	0.601	8	127.1069	0.618	11	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){5|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	125.6503	0.490	3	124.8220	2.905	4	124.4560	2.655	33	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){5|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	122.3370	0.000	1	124.8220	2.905	4	124.4560	2.655	33	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	123.2728	2.507	4	123.4836	3.882	14	124.4560	2.655	33	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<3>,3|C<3>}	122.7540	0.000	1	123.4836	3.882	14	124.4560	2.655	33	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	123.6584	1.956	9	123.4836	3.882	14	124.4560	2.655	33	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	125.2659	0.393	15	125.2659	0.155	15	124.4560	2.655	33	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,3|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	125.9390	0.000	1	125.9390	0.000	1	125.9390	0.000	1	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	122.7030	0.000	1	122.6985	0.000	2	122.6985	0.000	2	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:B[6]-4:	C[6a]-3:C[6]-3:O[6]-2:	N[6]-3:O[6]-2:F-1:F-1:	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	122.6940	0.000	1	122.6985	0.000	2	122.6985	0.000	2	125.0332	3.503	47	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	4:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5]-4:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<4>}	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	120.4110	0.000	1	120.4110	0.000	1	122.2620	6.852	2	122.2620	6.852	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	3:4:	4:3:2:	2:2:1:1:	C[6]-3:B[6]-4:	C[5]-4:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	C[6](C[5]C[5]P[5]Fe)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|Fe<10>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	C[6](C[5]C[5]P[5]Fe)(C[6]C[6]H)(O[6]B[6]){1|C<3>,1|O<2>,2|F<1>,3|C<4>}	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	124.1130	0.000	1	124.1130	0.000	1	122.2620	6.852	2	122.2620	6.852	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	2:2:2:	4:3:3:2:	B[6]-4:C[6]-3:	O[6]-2:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]O[6]O)	C[6](O[6]B[6])(O[6]C[6])(OC)	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]O[6]O){1|H<1>,6|C<3>}	C[6](O[6]B[6])(O[6]C[6])(OC){1|C<4>,3|C<3>}	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	2:2:3:	3:2:1:1:	B[6]-4:C[6]-3:	N[6]-2:O[6]-2:C-3:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]B[6])(CCH)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	C[6](N[6]C[6,6])(O[6]B[6])(CCH){1|C<3>,1|N<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	2:2:3:	4:3:3:2:	B[6]-4:C[6]-3:	O[6]-2:O[6]-2:N-3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]O[6]N)	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2)	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]O[6]N){1|H<1>,6|C<3>}	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2){1|C<4>,3|C<3>}	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	2:2:4:	3:2:1:1:	B[6]-4:C[6]-3:	N[6]-2:O[6]-2:C-4:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	121.8150	0.000	2	123.6426	2.890	5	123.6426	2.890	5	123.6426	2.890	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	2:2:4:	3:2:1:1:	B[6]-4:C[6]-3:	N[6]-2:O[6]-2:C-4:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,2|C<3>,2|N<2>}	124.8610	0.461	3	123.6426	2.890	5	123.6426	2.890	5	123.6426	2.890	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]O)	C[6](C[6]C[6]2)(O[6]B[6])(OC)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|C<4>}	C[6](C[6]C[6]2)(O[6]B[6])(OC){1|H<1>,1|O<2>,2|F<1>,3|C<4>}	B[6](O[6]C[6])2(F)2{1|C<3>,1|C<4>,1|O<2>}	119.4660	0.000	1	119.4660	0.000	1	119.8235	0.256	2	119.9107	0.151	3	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]B[6])(OC)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(OC){1|C<3>,1|O<2>,2|F<1>}	B[6](O[6]C[6])2(F)2{1|O<2>,2|C<3>}	120.1810	0.000	1	120.1810	0.000	1	119.8235	0.256	2	119.9107	0.151	3	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:S-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]S)	C[6](C[6]C[6]H)(O[6]B[6])(SC)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]S){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(SC){1|C<3>,1|O<2>,2|F<1>}	B[6](O[6]C[6])2(F)2{1|S<2>,2|C<3>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	119.9107	0.151	3	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){1|C<4>,1|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	118.6530	0.000	1	119.7850	0.884	5	119.7850	0.884	5	119.7850	0.884	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|F<1>,5|C<3>}	119.3935	0.179	2	119.7850	0.884	5	119.7850	0.884	5	119.7850	0.884	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|H<1>,5|C<3>}	120.7425	0.285	2	119.7850	0.884	5	119.7850	0.884	5	119.7850	0.884	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(O[6]B[6])2	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(O[6]B[6])2{1|O<3>,2|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	125.9760	0.219	2	125.9760	0.048	2	125.9760	0.048	2	125.9760	0.048	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	3:3:4:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]B[6])(OC)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(O[6]B[6])(OC){1|C<4>,1|H<1>,3|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	125.5365	8.475	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	3:3:4:2:	B[6]-4:C[6]-3:	P[6]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]P[6]O)	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]P[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB){1|C<4>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	127.5950	0.000	1	127.5950	0.000	1	127.5950	0.000	1	125.5365	8.475	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:2:	4:3:3:2:	B[6]-4:C[6]-3:	C[5,6]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC)	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:3:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-3:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	B[6](O[6]C[6])2(F)2{3|C<3>}	122.3190	0.281	4	122.3190	0.079	4	122.3190	0.079	4	121.6104	2.570	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:3:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:N-3:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]N)	C[6](C[6]N[6]H)(O[6]B[6])(NCC)	B[6](O[6]C[6])(O[6]N[6])(F)2	O[6](B[6]O[6]FF)(C[6]C[6]N){1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(O[6]B[6])(NCC){1|O<2>,2|F<1>}	B[6](O[6]C[6])(O[6]N[6])(F)2{1|C<3>,1|N<3>}	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	121.6104	2.570	5	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:3:	3:2:1:1:	B[6]-4:C[6]-3:	N[6]-3:O[6]-2:N-3:	C[6,6a]-3:O[6]-2:F-1:F-1:	O[6](B[6]C[6,6a]FF)(C[6]N[6]N)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2	O[6](B[6]C[6,6a]FF)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H){2|C<3>,2|F<1>}	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2{1|H<1>,2|C<3>,2|N<3>}	124.3090	0.000	1	124.3090	0.000	1	124.3090	0.000	1	124.3090	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	122.0630	1.392	4	121.9302	2.396	6	121.5240	2.587	10	121.5240	2.587	10	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	121.6645	2.440	2	121.9302	2.396	6	121.5240	2.587	10	121.5240	2.587	10	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C){2|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	120.9147	1.715	4	120.9147	2.942	4	121.5240	2.587	10	121.5240	2.587	10	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	3:2:1:1:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6,6]-3:O[6]-2:F-1:F-1:	O[6](B[6]N[6,6]FF)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,3|C<3>}	124.8406	0.357	14	124.8406	0.128	14	124.8406	0.128	14	124.8406	0.128	14	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	3:3:2:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]C){6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){2|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	120.5770	0.000	1	120.5770	0.000	1	120.5770	0.000	1	120.5770	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){2|C<4>,4|H<1>,5|C<3>}	120.0140	0.143	2	120.0140	0.020	2	120.0140	0.020	2	119.1827	1.762	4	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C){1|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|N<3>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	119.1827	1.762	4	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|N<2>,6|C<3>}	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,4|H<1>,7|C<3>}	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.1827	1.762	4	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:2:4:	4:3:3:2:	B[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	119.7460	1.141	4	117.8169	3.723	10	117.8169	3.723	10	118.1540	2.355	24	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	116.5308	0.979	6	117.8169	3.723	10	117.8169	3.723	10	118.1540	2.355	24	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|O<2>,2|H<1>,7|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	120.1805	0.374	2	120.1805	0.140	2	120.1805	0.140	2	118.1540	2.355	24	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|F<1>,7|C<3>}	118.1853	1.086	10	118.0972	1.012	12	118.0972	1.012	12	118.1540	2.355	24	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	117.6570	0.232	2	118.0972	1.012	12	118.0972	1.012	12	118.1540	2.355	24	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6]){9|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,6|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	123.4150	2.493	2	123.4150	6.216	2	123.1247	3.361	3	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6])	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	122.5440	0.000	1	122.5440	0.000	1	123.1247	3.361	3	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){9|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,7|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){5|H<1>,8|C<3>}	118.5340	0.000	1	118.5340	0.000	1	120.3457	1.000	8	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<2>,5|H<1>,7|C<3>}	120.3718	0.749	5	120.6046	0.541	7	120.3457	1.000	8	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){5|H<1>,8|C<3>}	121.1865	0.238	2	120.6046	0.541	7	120.3457	1.000	8	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]N)(O[6]B[6])	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]C[6]){1|C<4>,1|N<2>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(O[6]B[6]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|F<1>,5|C<3>}	121.6900	0.000	1	121.6900	0.000	1	121.1552	3.630	5	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,5|C<3>}	121.0215	2.173	4	121.0215	4.721	4	121.1552	3.630	5	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){1|C<4>,8|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,7|C<3>}	119.0241	1.199	7	119.0241	1.437	7	119.0241	1.437	7	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){1|C<4>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|F<1>,5|C<3>}	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:3:2:	B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){9|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,7|C<3>}	117.9860	0.000	1	117.9860	0.000	1	117.9860	0.000	1	120.2312	3.527	26	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	3:3:2:	3:3:4:2:	B[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,2|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){4|F<1>,7|C<3>}	121.1675	0.056	2	121.1675	0.003	2	121.1675	0.003	2	121.1675	0.003	2	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	4:2:2:	4:3:3:2:	B[6]-4:C[6]-3:	C[3,5,6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>,4|F<1>}	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	874	6:SP2_SP2_SP3	O[6]	C[6]	B[6]	4:3:	4:3:2:	2:2:1:1:	B[6]-4:C[6]-3:	C[6]-4:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](B[6]O[6]FF)(C[6]C[6]2)	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6])	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6]){2|F<1>,2|O<2>,4|C<4>,5|H<1>}	B[6](O[6]C[6])2(F)2{1|C<3>,1|C<4>,1|O<2>}	121.2530	0.000	1	121.2530	0.000	1	121.2530	0.000	1	121.2530	0.000	1	122.1716	6.133	394	121.9735	6.840	436
622	762	914	6:SP2_SP2_SP2	O[6]	C[6]	N[6]	3:2:	3:2:2:	3:2:	C[6]-3:N[6]-2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:O[6]-2:	O[6](C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	N[6](C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	115.2505	0.080	2	115.8801	4.302	8	115.8801	4.302	8	115.8801	4.302	8	115.4075	4.465	10	115.4075	4.465	10
622	762	914	6:SP2_SP2_SP2	O[6]	C[6]	N[6]	3:2:	3:2:2:	3:2:	C[6]-3:N[6]-2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:O[6]-2:	O[6](C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	N[6](C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|O<2>,2|N<2>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	116.0900	2.410	6	115.8801	4.302	8	115.8801	4.302	8	115.8801	4.302	8	115.4075	4.465	10	115.4075	4.465	10
622	762	914	6:SP2_SP2_SP2	O[6]	C[6]	N[6]	3:2:	3:3:2:	3:2:	C[6]-3:N[6]-2:	C[5a]-3:N[6]-3:O[6]-2:	C[6]-3:O[6]-2:	O[6](C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6]Co)(O[6]N[6])	N[6](C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|Co<6>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6]Co)(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	113.5170	1.065	2	113.5170	1.134	2	113.5170	1.134	2	113.5170	1.134	2	115.4075	4.465	10	115.4075	4.465	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:3:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6a]-3:C[6]-3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,2|O<2>,3|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	128.8890	0.000	1	128.7857	0.037	3	128.7857	0.037	3	128.7857	0.037	3	126.9733	10.419	10	126.9733	10.419	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:3:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6a]-3:C[6]-3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<2>,2|H<1>,2|O<2>,4|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	128.7340	0.239	2	128.7857	0.037	3	128.7857	0.037	3	128.7857	0.037	3	126.9733	10.419	10	126.9733	10.419	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	123.2550	0.000	1	125.9717	15.500	6	125.9717	15.500	6	126.1966	13.271	7	126.9733	10.419	10	126.9733	10.419	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	121.4710	0.000	1	125.9717	15.500	6	125.9717	15.500	6	126.1966	13.271	7	126.9733	10.419	10	126.9733	10.419	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	127.0157	3.867	3	125.9717	15.500	6	125.9717	15.500	6	126.1966	13.271	7	126.9733	10.419	10	126.9733	10.419	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|N<3>,1|S<2>,2|C<3>,2|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	130.0570	0.000	1	125.9717	15.500	6	125.9717	15.500	6	126.1966	13.271	7	126.9733	10.419	10	126.9733	10.419	10
622	762	928	6:SP2_SP2_SPD6	O[6]	C[6]	Si[5,6,6]	6:3:	2:3:4:	3:3:2:2:2:2:	Si[5,6,6]-6:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	127.5460	0.000	1	127.5460	0.000	1	127.5460	0.000	1	126.1966	13.271	7	126.9733	10.419	10	126.9733	10.419	10
622	762	931	6:SP2_SP2_SPD5	O[6]	C[6]	Si[5,6]	5:3:	2:3:4:	3:2:2:4:4:	Si[5,6]-5:C[6]-3:	O[6]-2:C[6]-3:C-4:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C)	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3)	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,3|C<4>}	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	125.0127	1.544	3	125.0127	2.384	3	125.0127	2.384	3	125.0127	2.384	3	125.0127	2.384	3	125.0127	2.384	3
622	762	934	6:SP2_SP2_SPD5	O[6]	C[6]	Si[6,6]	5:3:	2:2:4:	4:4:2:2:1:	Si[6,6]-5:C[6]-3:	O[6]-2:N[6]-2:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CC3)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	C[6](O[6]Si[6,6])(N[6]N[6])(CC3){1|Cl<1>,1|O<2>,4|C<4>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	127.0670	0.000	1	127.0670	0.000	1	125.2790	6.394	2	125.2790	6.394	2	125.9918	3.110	6	125.9918	3.110	6
622	762	934	6:SP2_SP2_SPD5	O[6]	C[6]	Si[6,6]	5:3:	2:2:4:	4:4:2:2:1:	Si[6,6]-5:C[6]-3:	O[6]-2:N[6]-2:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){1|Cl<1>,1|O<2>,4|C<4>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	123.4910	0.000	1	123.4910	0.000	1	125.2790	6.394	2	125.2790	6.394	2	125.9918	3.110	6	125.9918	3.110	6
622	762	934	6:SP2_SP2_SPD5	O[6]	C[6]	Si[6,6]	5:3:	2:2:4:	4:4:2:2:2:	Si[6,6]-5:C[6]-3:	O[6]-2:N[6]-2:C-4:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){2|O<2>,4|C<4>}	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	126.3483	1.595	4	126.3483	2.544	4	126.3483	2.544	4	126.3483	2.544	4	125.9918	3.110	6	125.9918	3.110	6
622	762	943	6:SP2_SP-NON_SP2	O[6]	C[6]	Ga[6]	4:3:	3:2:4:	3:2:1:1:	Ga[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:Cl-1:Cl-1:	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){2|Cl<1>,1|C<4>,1|N<3>}	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	122.5700	4.050	2	122.5700	4.050	2
622	762	943	6:SP2_SP-NON_SP2	O[6]	C[6]	Ga[6]	4:3:	3:2:4:	3:2:3:3:	Ga[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:N-3:N-3:	O[6](Ga[6]N[6]NN)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	O[6](Ga[6]N[6]NN)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){1|C<4>,3|N<3>}	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	123.9930	0.000	1	123.9930	0.000	1	123.9930	0.000	1	123.9930	0.000	1	122.5700	4.050	2	122.5700	4.050	2
622	762	961	6:SP2_SP2_SP3	O[6]	C[6,6]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6,6]-3:S[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:O-1:	O[6](C[6,6]C[6,6a]C[6,6])(S[6]C[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6])	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2	O[6](C[6,6]C[6,6a]C[6,6])(S[6]C[6]OO){1|S<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6]){1|C<4>,2|H<1>,3|C<3>,4|O<1>}	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2{1|H<1>,4|C<3>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	118.1265	7.171	2	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6,6]	S[6]	3:4:	3:3:2:	4:2:1:1:	C[6,6]-3:S[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:O-1:	O[6](C[6,6]C[6,6a]C[6,6])(S[6]C[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6])	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2	O[6](C[6,6]C[6,6a]C[6,6])(S[6]C[6]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2{1|H<1>,1|N<3>,4|C<3>}	116.2330	0.000	1	116.2330	0.000	1	116.2330	0.000	1	116.2330	0.000	1	118.1265	7.171	2	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:O-1:	O[6](C[6]C[6a]C[6])(S[6]C[6]OO)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6])	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2	O[6](C[6]C[6a]C[6])(S[6]C[6]OO){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6]){2|O<1>,3|H<1>,5|C<3>}	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2{1|H<1>,4|C<3>}	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	117.0826	1.951	17	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6]	S[6]	3:4:	3:3:2:	4:2:1:1:	C[6]-3:S[6]-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:O-1:	O[6](C[6]C[6a]C[6])(S[6]C[6]OO)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6])	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2	O[6](C[6]C[6a]C[6])(S[6]C[6]OO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2{1|H<1>,1|N<3>,4|C<3>}	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	117.0826	1.951	17	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6]	S[6]	4:3:	3:2:4:	2:2:1:1:	S[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-2:O[6]-2:O-1:O-1:	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	S[6](N[6]C[6])(O[6]C[6])(O)2	O[6](S[6]N[6]OO)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,1|O<2>,2|O<1>}	S[6](N[6]C[6])(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<2>}	118.7195	0.394	2	116.8276	1.547	11	116.8276	1.547	11	116.8276	1.547	11	117.0826	1.951	17	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6]	S[6]	4:3:	3:2:4:	2:2:1:1:	S[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-2:O[6]-2:O-1:O-1:	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	S[6](N[6]C[6])(O[6]C[6])(O)2	O[6](S[6]N[6]OO)(C[6]C[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,3|O<1>}	S[6](N[6]C[6])(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	116.4072	0.906	9	116.8276	1.547	11	116.8276	1.547	11	116.8276	1.547	11	117.0826	1.951	17	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6]	S[6]	4:3:	3:2:4:	3:2:1:1:	S[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:O-1:O-1:	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O[6](S[6]N[6]OO)(C[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	117.7050	0.776	3	117.7050	0.602	3	117.2007	1.418	4	117.2007	1.418	4	117.0826	1.951	17	117.1925	2.241	19
622	762	961	6:SP2_SP2_SP3	O[6]	C[6]	S[6]	4:3:	3:2:4:	3:2:1:1:	S[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-4:	N[6]-3:O[6]-2:O-1:O-1:	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	S[6](N[6]C[6]Pd)(O[6]C[6])(O)2	O[6](S[6]N[6]OO)(C[6]C[6]C){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	S[6](N[6]C[6]Pd)(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	115.6880	0.000	1	115.6880	0.000	1	117.2007	1.418	4	117.2007	1.418	4	117.0826	1.951	17	117.1925	2.241	19
622	786	786	6:SP3_SP3_SP3	O[6]	B[5,6]	B[5,6]	4:4:	3:4:2:2:	3:4:2:2:	B[5,6]-4:B[5,6]-4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	O[6](B[5,6]C[5,6a]N[5]O[6])2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	O[6](B[5,6]C[5,6a]N[5]O[6])2{1|B<3>,4|C<3>,6|C<4>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	123.7930	0.000	1	123.7930	0.000	1	122.2387	1.152	4	122.2387	1.152	4	122.2387	1.152	4	122.2387	1.152	4
622	786	786	6:SP3_SP3_SP3	O[6]	B[5,6]	B[5,6]	4:4:	3:4:2:2:	3:4:2:2:	B[5,6]-4:B[5,6]-4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	O[6](B[5,6]C[5,6a]N[5]O[6])2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	O[6](B[5,6]C[5,6a]N[5]O[6])2{1|B<4>,4|C<3>,6|C<4>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	121.7207	0.342	3	121.7207	0.117	3	122.2387	1.152	4	122.2387	1.152	4	122.2387	1.152	4	122.2387	1.152	4
622	786	818	6:SP2_SP2_SP3	O[6]	B[5,5,6]	C[5,6]	4:3:	4:4:2:2:	3:2:3:	B[5,5,6]-4:C[5,6]-3:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	N[5,6]-3:O[6]-2:N[5]-3:	O[6](B[5,5,6]N[5,5]N[5,6]O[5])(C[5,6]N[5,6]N[5])	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C)	O[6](B[5,5,6]N[5,5]N[5,6]O[5])(C[5,6]N[5,6]N[5]){2|B<4>,8|C<4>}	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C){1|C<4>,1|O<2>,2|N<4>,5|H<1>}	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1
622	811	811	6:SP3_SP3_SP3	O[6,6]	B[6,6,6a]	B[6,6,6a]	4:4:	3:3:2:2:	3:3:2:2:	B[6,6,6a]-4:B[6,6,6a]-4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2{2|N<2>,6|C<3>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	111.0375	0.078	2	111.0375	0.006	2	111.0375	0.006	2	111.0375	0.006	2	111.0375	0.006	2	120.0005	48.689	6
622	811	811	6:SP3_SP3_SP3	O[6]	B[6,6a]	B[6,6a]	4:4:	2:2:2:2:	2:2:2:2:	B[6,6a]-4:B[6,6a]-4:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6](B[6,6a]O[6a]2O[6])2	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])2{5|B<3>}	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	124.5360	1.095	3	124.5360	1.198	3	124.5360	1.198	3	124.5360	1.198	3	124.4820	0.811	4	120.0005	48.689	6
622	811	811	6:SP3_SP3_SP3	O[6]	B[6,6a]	B[6,6a]	4:4:	3:4:2:2:	3:4:2:2:	B[6,6a]-4:B[6,6a]-4:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2{1|B<3>,2|N<2>,4|C<3>,4|C<4>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	124.3200	0.000	1	124.3200	0.000	1	124.3200	0.000	1	124.3200	0.000	1	124.4820	0.811	4	120.0005	48.689	6
622	811	874	6:SP3_SP3_SP3	O[6]	B[6,6a]	B[6,6]	4:4:	2:2:2:2:	2:2:2:2:	B[6,6a]-4:B[6,6]-4:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	B[6,6](O[6]B[6,6a])2(O[6]B[6])2	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	B[6,6](O[6]B[6,6a])2(O[6]B[6])2{8|O<2>}	124.4330	1.680	2	124.4330	2.823	2	124.4330	2.823	2	124.4330	2.823	2	124.4330	2.823	2	124.4330	2.823	2
622	818	885	6:SP2_SP-NON_SP2	O[6]	C[5,6]	Ga[5,6]	4:3:	3:3:2:	4:3:3:2:	Ga[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	Ga[5,6]-4:N[5]-3:N[5]-3:O[6]-2:	O[6](Ga[5,6]Ga[5,6]N[5]2)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	Ga[5,6](Ga[5,6]N[5]2O[6])(N[5]C[5,5]C[6a])2(O[6]C[5,6])	O[6](Ga[5,6]Ga[5,6]N[5]2)(C[5,6]C[5,6a]C[5,6]){1|O<2>,2|N<3>,7|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	Ga[5,6](Ga[5,6]N[5]2O[6])(N[5]C[5,5]C[6a])2(O[6]C[5,6]){12|C<3>}	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1
622	818	928	6:SP2_SP2_SPD6	O[6]	C[5,6]	Si[5,6]	6:3:	3:2:2:	3:3:3:2:2:3:	Si[5,6]-6:C[5,6]-3:	N[5,6]-3:O[5]-2:O[6]-2:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,3|C<3>,3|N<3>}	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	127.8740	0.000	1	127.8740	0.000	1	127.8740	0.000	1	127.8740	0.000	1	127.8740	0.000	1	127.8740	0.000	1
622	818	931	6:SP2_SP2_SPD5	O[6]	C[5,6]	Si[5,6]	5:3:	3:2:2:	3:3:3:2:2:	Si[5,6]-5:C[5,6]-3:	N[5,6]-3:O[5]-2:O[6]-2:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5]){9|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,2|N<3>,3|C<3>}	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6]){1|N<3>,2|H<1>,2|O<1>,2|O<2>,6|C<3>}	127.7250	0.238	2	127.7250	0.056	2	127.7250	0.056	2	127.7250	0.056	2	127.7250	0.056	2	127.7250	0.056	2
622	846	874	6:SP2_SP2_SP3	O[6]	C[4,6]	B[6]	3:4:	3:3:2:	3:2:1:1:	C[4,6]-3:B[6]-4:	C[4,6]-3:C[4]-3:O[6]-2:	N[5a,6]-3:O[6]-2:F-1:F-1:	O[6](C[4,6]C[4,6]C[4])(B[6]N[5a,6]FF)	C[4,6](C[4,6]C[5a,6]C[4])(C[4]C[5a]C[4])(O[6]B[6])	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	O[6](C[4,6]C[4,6]C[4])(B[6]N[5a,6]FF){4|C<3>}	C[4,6](C[4,6]C[5a,6]C[4])(C[4]C[5a]C[4])(O[6]B[6]){1|O<1>,2|C<3>,2|F<1>,2|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1
622	849	849	6:SP3_SP3_SP3	O[6,6]	P[3x6]	P[3x6]	4:4:	4:2:2:1:	4:2:2:1:	P[3x6]-4:P[3x6]-4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:S-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:S-1:	O[6,6](P[3x6]C[6,6]O[6,6]S)2	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S)	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S)	O[6,6](P[3x6]C[6,6]O[6,6]S)2{2|P<4>,4|F<1>}	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S){1|C<4>,2|O<2>,3|S<1>}	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S){1|C<4>,2|O<2>,3|S<1>}	130.7173	0.389	3	130.7173	0.151	3	130.7173	0.151	3	130.7173	0.151	3	130.7173	0.151	3	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6,6]	P[6,6]	P[6,6]	4:4:	2:2:2:1:	2:2:2:1:	P[6,6]-4:P[6,6]-4:	O[6,6]-2:O[6]-2:O[6]-2:O-1:	O[6,6]-2:O[6]-2:O[6]-2:O-1:	O[6,6](P[6,6]O[6]2O)2	P[6,6](O[6,6]P[6,6])(O[6]P[6])2(O)	P[6,6](O[6,6]P[6,6])(O[6]P[6])2(O)	O[6,6](P[6,6]O[6]2O)2{2|P<4>}	P[6,6](O[6,6]P[6,6])(O[6]P[6])2(O){2|O<2>,5|O<1>}	P[6,6](O[6,6]P[6,6])(O[6]P[6])2(O){2|O<2>,5|O<1>}	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6,6]	P[6]	4:4:	2:2:2:1:	2:2:1:1:	P[6,6]-4:P[6]-4:	O[6,6]-2:O[6]-2:O[6]-2:O-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](P[6,6]O[6,6]O[6]O)(P[6]O[6]OO)	P[6,6](O[6,6]P[6,6])(O[6]P[6])2(O)	P[6](O[6]P[6,6])2(O)2	O[6](P[6,6]O[6,6]O[6]O)(P[6]O[6]OO){2|P<4>}	P[6,6](O[6,6]P[6,6])(O[6]P[6])2(O){2|O<2>,5|O<1>}	P[6](O[6]P[6,6])2(O)2{2|O<1>,3|O<2>}	128.8088	1.610	4	128.8088	2.591	4	128.8088	2.591	4	128.8088	2.591	4	128.8088	2.591	4	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:1:1:	2:2:1:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-1:O-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(O)2	P[6](O[6]P[6])2(O)2	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(O)2{1|N<3>,1|O<2>,3|O<1>}	P[6](O[6]P[6])2(O)2{1|N<3>,1|O<2>,3|O<1>}	126.4470	0.000	1	127.0219	8.175	31	127.0219	8.175	31	127.0219	8.175	31	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:1:1:	2:2:1:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-1:O-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(O)2	P[6](O[6]P[6])2(O)2	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(O)2{1|O<2>,4|O<1>}	P[6](O[6]P[6])2(O)2{1|O<2>,4|O<1>}	127.0411	2.906	30	127.0219	8.175	31	127.0219	8.175	31	127.0219	8.175	31	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:1:1:	2:2:3:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-1:O-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](P[6]O[6]NO)(P[6]O[6]OO)	P[6](O[6]P[6])2(O)2	P[6](O[6]P[6])2(NCC)(O)	O[6](P[6]O[6]NO)(P[6]O[6]OO){1|P<4>}	P[6](O[6]P[6])2(O)2{1|N<3>,1|O<2>,3|O<1>}	P[6](O[6]P[6])2(NCC)(O){1|O<2>,4|O<1>}	129.4500	7.577	2	129.4500	57.416	2	129.4500	57.416	2	129.4500	57.416	2	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:2:1:	2:2:1:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-2:O-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(OPd)(O)	P[6](O[6]P[6])2(O)2	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(OPd)(O){2|O<2>,3|O<1>}	P[6](O[6]P[6])2(O)2{2|O<1>,3|O<2>}	126.8135	1.735	2	126.8135	3.009	2	126.8135	3.009	2	126.8135	3.009	2	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-2:O-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(OMo)(O)	P[6](O[6]P[6])2(OMo)(O)	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(OMo)(O){2|O<1>,3|O<2>}	P[6](O[6]P[6])2(OMo)(O){2|O<1>,3|O<2>}	122.3570	0.103	3	122.3570	0.011	3	123.6289	1.942	10	123.6289	1.942	10	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-2:O-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(OPd)(O)	P[6](O[6]P[6])2(OPd)(O)	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(OPd)(O){2|O<2>,3|O<1>}	P[6](O[6]P[6])2(OPd)(O){2|O<2>,3|O<1>}	124.0930	0.000	1	124.0930	0.000	1	123.6289	1.942	10	123.6289	1.942	10	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-2:O-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(OPt)(O)	P[6](O[6]P[6])2(OPt)(O)	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(OPt)(O){2|O<1>,3|O<2>}	P[6](O[6]P[6])2(OPt)(O){2|O<1>,3|O<2>}	125.3060	0.825	3	125.3060	0.681	3	123.6289	1.942	10	123.6289	1.942	10	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	O[6]-2:O[6]-2:O-2:O-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](P[6]O[6]OO)2	P[6](O[6]P[6])2(ORu)(O)	P[6](O[6]P[6])2(ORu)(O)	O[6](P[6]O[6]OO)2{1|P<4>}	P[6](O[6]P[6])2(ORu)(O){2|O<1>,3|O<2>}	P[6](O[6]P[6])2(ORu)(O){2|O<1>,3|O<2>}	123.0690	0.907	3	123.0690	0.823	3	123.6289	1.942	10	123.6289	1.942	10	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	3:2:2:1:	3:2:2:1:	P[6]-4:P[6]-4:	C[6a]-3:O[6]-2:O[6]-2:O-1:	C[6a]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6a]O[6]O)2	P[6](C[6a]C[6a]2)(O[6]P[6])2(O)	P[6](C[6a]C[6a]2)(O[6]P[6])2(O)	O[6](P[6]C[6a]O[6]O)2{1|P<4>,4|C<3>}	P[6](C[6a]C[6a]2)(O[6]P[6])2(O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	P[6](C[6a]C[6a]2)(O[6]P[6])2(O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	131.5695	3.163	6	131.5695	10.008	6	131.5695	10.008	6	131.5695	10.008	6	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	3:4:2:1:	3:4:2:1:	P[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	O[6](P[6]C[6a]C[6]O)2	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O)	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O)	O[6](P[6]C[6a]C[6]O)2{1|S<2>,4|C<3>,4|H<1>}	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	137.1230	0.000	1	137.1230	0.000	1	137.1230	0.000	1	137.1230	0.000	1	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	4:2:1:1:	4:2:1:1:	P[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:O-1:O-1:	C[6,6]-4:O[6]-2:O-1:O-1:	O[6](P[6]C[6,6]OO)2	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2	O[6](P[6]C[6,6]OO)2{1|N<3>,2|C<4>,2|P<4>}	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2{1|C<4>,1|H<1>,1|O<2>,4|O<1>}	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2{1|C<4>,1|H<1>,1|O<2>,4|O<1>}	127.8490	0.515	2	127.8490	0.265	2	127.8490	0.265	2	127.8490	0.265	2	127.1399	13.639	55	127.2986	13.669	63
622	849	849	6:SP3_SP3_SP3	O[6]	P[6]	P[6]	4:4:	4:2:2:1:	4:2:2:1:	P[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:O-2:O-1:	C[6,6]-4:O[6]-2:O-2:O-1:	O[6](P[6]C[6,6]OO)2	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O)	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O)	O[6](P[6]C[6,6]OO)2{1|N<2>,2|C<3>,2|P<4>}	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O){1|C<4>,2|C<3>,2|O<1>,3|O<2>}	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O){1|C<4>,2|C<3>,2|O<1>,3|O<2>}	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	127.1399	13.639	55	127.2986	13.669	63
622	849	874	6:SP3_SP3_SP3	O[6]	P[6]	B[6]	4:4:	3:3:4:2:	2:2:1:1:	P[6]-4:B[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF)	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6])	B[6](O[6]P[6])2(F)2	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF){1|P<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6]){1|O<2>,2|F<1>,4|H<1>,6|C<3>}	B[6](O[6]P[6])2(F)2{1|C<4>,4|C<3>}	127.5595	0.086	2	127.5595	0.007	2	127.5595	0.007	2	127.5595	0.007	2	126.5977	2.779	3	126.5977	2.779	3
622	849	874	6:SP3_SP3_SP3	O[6]	P[6]	B[6]	4:4:	3:3:4:2:	3:3:3:2:	B[6]-4:P[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:O[6]-2:	O[6](B[6]C[6a]2C[6])(P[6]C[6a]2C[6])	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6])	O[6](B[6]C[6a]2C[6])(P[6]C[6a]2C[6]){1|C<4>,2|H<1>,9|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6]){2|H<1>,4|C<4>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	124.6740	0.000	1	124.6740	0.000	1	124.6740	0.000	1	124.6740	0.000	1	126.5977	2.779	3	126.5977	2.779	3
622	854	874	6:SP3_SP3_SP3	O[6,6]	N[4x6]	B[3x6]	4:4:	4:4:2:1:	2:2:2:3:	B[3x6]-4:N[4x6]-4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H){2|C<3>,2|N<3>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	110.2625	4.618	2
622	854	874	6:SP3_SP3_SP3	O[6]	N[6]	B[6]	4:4:	4:2:4:1:	3:3:4:2:	B[6]-4:N[6]-4:	B[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH)	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	110.2625	4.618	2
622	854	943	6:SP3_SP-NON_SP3	O[6,6]	N[3x6]	Ga[6,6]	4:4:	4:4:2:4:	4:2:4:4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	121.5155	0.202	2	121.5155	0.041	2	119.3503	4.202	6	119.3503	4.202	6	119.3503	4.202	6	120.0194	6.635	7
622	854	943	6:SP3_SP-NON_SP3	O[6,6]	N[3x6]	Ga[6,6]	4:4:	4:4:2:4:	4:2:4:4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	119.3503	4.202	6	119.3503	4.202	6	119.3503	4.202	6	120.0194	6.635	7
622	854	943	6:SP3_SP-NON_SP3	O[6,6]	N[3x6]	Ga[6,6]	4:4:	4:4:2:4:	4:2:4:4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	117.6840	0.389	2	117.6840	0.151	2	119.3503	4.202	6	119.3503	4.202	6	119.3503	4.202	6	120.0194	6.635	7
622	854	943	6:SP3_SP-NON_SP3	O[6,6]	N[3x6]	Ga[6,6]	4:4:	4:4:2:4:	4:2:4:4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	117.2100	0.000	1	117.2100	0.000	1	119.3503	4.202	6	119.3503	4.202	6	119.3503	4.202	6	120.0194	6.635	7
622	854	943	6:SP3_SP-NON_SP3	O[6]	N[6]	Ga[6]	4:4:	4:2:4:4:	4:2:4:4:	Ga[6]-4:N[6]-4:	Ga[6]-4:O[6]-2:C-4:C-4:	N[6]-4:O[6]-2:C-4:C-4:	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC)	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC){1|O<2>,4|C<4>}	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	120.0194	6.635	7
622	856	874	6:SP3_SP2_SP3	O[6]	N[6,6]	B[6]	3:4:	3:3:2:	2:2:3:1:	N[6,6]-3:B[6]-4:	C[6,6,6a]-3:C[6]-3:O[6]-2:	O[6]-2:O[6]-2:C-3:F-1:	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF){1|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	113.0237	11.545	3
622	856	874	6:SP3_SP2_SP3	O[6]	N[6]	B[6]	4:3:	3:2:4:	3:2:3:1:	B[6]-4:N[6]-3:	C[6]-3:O[6]-2:C-4:	N[6,6]-3:O[6]-2:C-3:F-1:	O[6](B[6]N[6,6]CF)(N[6]C[6]C)	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3)	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	O[6](B[6]N[6,6]CF)(N[6]C[6]C){1|O<1>,2|C<3>}	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3){1|F<1>,1|N<3>,2|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	111.0635	0.037	2	113.0237	11.545	3
622	856	874	6:SP3_SP2_SP3	O[6]	N[6]	B[6]	4:3:	4:3:2:	3:3:4:2:	B[6]-4:N[6]-3:	P[6]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6])	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6]){1|C<4>,2|H<1>,8|C<3>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6]){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	111.0635	0.037	2	113.0237	11.545	3
622	856	874	6:SP3_SP3_SP3	O[6,6]	N[4x6]	B[3x6]	4:3:	4:4:2:	2:2:2:2:	B[3x6]-4:N[4x6]-3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-2:	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	B[3x6](O[6,6]N[4x6])3(OH)	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2){2|N<3>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<4>,1|N<3>,3|O<2>,4|H<1>}	B[3x6](O[6,6]N[4x6])3(OH){3|C<4>}	110.2163	0.400	3	110.2163	0.160	3	110.2163	0.160	3	110.2163	0.160	3	110.5021	0.227	11	110.5021	0.227	11
622	856	874	6:SP3_SP3_SP3	O[6,6]	N[4x6]	B[3x6]	4:3:	4:4:2:	2:2:2:3:	B[3x6]-4:N[4x6]-3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	111.0615	0.704	2	110.6093	0.230	8	110.6093	0.230	8	110.6093	0.230	8	110.5021	0.227	11	110.5021	0.227	11
622	856	874	6:SP3_SP3_SP3	O[6,6]	N[4x6]	B[3x6]	4:3:	4:4:2:	2:2:2:3:	B[3x6]-4:N[4x6]-3:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){2|C<3>,2|N<3>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<4>,2|O<2>,4|H<1>}	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,2|H<1>,3|C<4>}	110.4585	0.338	6	110.6093	0.230	8	110.6093	0.230	8	110.6093	0.230	8	110.5021	0.227	11	110.5021	0.227	11
622	856	943	6:SP3_SP-NON_SP2	O[6]	N[6]	Ga[6]	3:4:	3:4:2:	3:2:4:4:	N[6]-3:Ga[6]-4:	C[5,6]-3:Ga[6]-4:O[6]-2:	N[6]-3:O[6]-2:C-4:C-4:	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC)	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6])	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC){1|C<3>,1|O<2>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6]){1|N<3>,3|H<1>,5|C<4>}	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1
622	856	943	6:SP3_SP-NON_SP3	O[6]	N[6]	Ga[6]	4:3:	4:2:4:	4:2:4:4:	Ga[6]-4:N[6]-3:	C[6]-4:O[6]-2:C-4:	N[6]-4:O[6]-2:C-4:C-4:	O[6](Ga[6]N[6]CC)(N[6]C[6]C)	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3)	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	O[6](Ga[6]N[6]CC)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3){1|N<4>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1
622	873	873	6:SP3_SP3_SP3	O[6]	Se[6]	Se[6]	4:4:	2:2:1:1:	2:2:1:1:	Se[6]-4:Se[6]-4:	O[6]-2:O[6]-2:O-1:O-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](Se[6]O[6]OO)2	Se[6](O[6]Se[6])2(O)2	Se[6](O[6]Se[6])2(O)2	O[6](Se[6]O[6]OO)2{1|Se<4>}	Se[6](O[6]Se[6])2(O)2{1|O<2>,4|O<1>}	Se[6](O[6]Se[6])2(O)2{1|O<2>,4|O<1>}	123.1637	1.459	3	123.1637	2.128	3	123.1637	2.128	3	123.1637	2.128	3	123.1637	2.128	3	123.1637	2.128	3
622	873	903	6:SP2_SP2_SP3	O[6]	Se[6]	Se[6]	4:3:	2:2:1:1:	2:2:1:	Se[6]-4:Se[6]-3:	O[6]-2:O[6]-2:O-1:O-1:	O[6]-2:O[6]-2:O-1:	O[6](Se[6]O[6]OO)(Se[6]O[6]O)	Se[6](O[6]Se[6])2(O)2	Se[6](O[6]Se[6])2(O)	O[6](Se[6]O[6]OO)(Se[6]O[6]O){1|Se<3>}	Se[6](O[6]Se[6])2(O)2{1|O<2>,2|O<1>}	Se[6](O[6]Se[6])2(O){1|O<2>,3|O<1>}	127.6430	5.085	4	127.6430	25.860	4	127.6430	25.860	4	127.6430	25.860	4	127.6430	25.860	4	127.6430	25.860	4
622	874	874	6:SP3_SP3_SP3	O[6,6]	B[6,6]	B[6,6]	4:4:	2:2:2:2:	2:2:2:2:	B[6,6]-4:B[6,6]-4:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	O[6,6](B[6,6]O[6]2O)2	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6,6](B[6,6]O[6]2O)2{2|B<3>}	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	110.8150	0.224	3	110.8150	0.050	3	110.8150	0.050	3	110.8150	0.050	3	111.1689	0.637	8	112.5901	9.641	10
622	874	874	6:SP3_SP3_SP3	O[6,6]	B[6,6]	B[6,6]	4:4:	2:3:2:2:	2:3:2:2:	B[6,6]-4:B[6,6]-4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6,6](B[6,6]C[6a]O[6]2)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	111.2390	0.000	1	111.3812	0.940	5	111.3812	0.940	5	111.3812	0.940	5	111.1689	0.637	8	112.5901	9.641	10
622	874	874	6:SP3_SP3_SP3	O[6,6]	B[6,6]	B[6,6]	4:4:	2:3:2:2:	2:3:2:2:	B[6,6]-4:B[6,6]-4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6,6](B[6,6]C[6a]O[6]2)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	111.7600	0.000	1	111.3812	0.940	5	111.3812	0.940	5	111.3812	0.940	5	111.1689	0.637	8	112.5901	9.641	10
622	874	874	6:SP3_SP3_SP3	O[6,6]	B[6,6]	B[6,6]	4:4:	2:3:2:2:	2:3:2:2:	B[6,6]-4:B[6,6]-4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	O[6,6](B[6,6]C[6a]O[6]2)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	111.3023	1.337	3	111.3812	0.940	5	111.3812	0.940	5	111.3812	0.940	5	111.1689	0.637	8	112.5901	9.641	10
622	874	874	6:SP3_SP3_SP3	O[6]	B[6,6]	B[6,6]	4:4:	2:2:3:2:	2:2:3:2:	B[6,6]-4:B[6,6]-4:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	O[6](B[6,6]N[6]O[6]2)2	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](B[6,6]N[6]O[6]2)2{1|B<3>,2|C<4>,4|C<3>}	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	119.1450	0.000	1	119.1450	0.000	1	119.1450	0.000	1	119.1450	0.000	1	119.1450	0.000	1	112.5901	9.641	10
622	874	874	6:SP3_SP3_SP3	O[6]	B[6]	B[6]	4:4:	3:3:2:2:	3:3:2:2:	B[6]-4:B[6]-4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])2	B[6](C[6a]C[6a]2)2(O[6]B[6])2	B[6](C[6a]C[6a]2)2(O[6]B[6])2	O[6](B[6]C[6a]2O[6])2{1|B<3>,8|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	117.4050	0.000	1	117.4050	0.000	1	117.4050	0.000	1	117.4050	0.000	1	117.4050	0.000	1	112.5901	9.641	10
622	874	914	6:SP2_SP2_SP3	O[6]	B[6]	N[6]	4:2:	2:2:1:1:	3:2:	B[6]-4:N[6]-2:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:O[6]-2:	O[6](B[6]O[6]FF)(N[6]C[6])	B[6](O[6]C[6])(O[6]N[6])(F)2	N[6](C[6]C[6]H)(O[6]B[6])	O[6](B[6]O[6]FF)(N[6]C[6]){1|C<3>,1|H<1>}	B[6](O[6]C[6])(O[6]N[6])(F)2{1|C<3>,1|N<3>}	N[6](C[6]C[6]H)(O[6]B[6]){1|N<3>,1|O<2>,2|F<1>}	117.7360	0.000	1	117.7360	0.000	1	117.7360	0.000	1	117.7360	0.000	1	117.7360	0.000	1	117.7360	0.000	1
622	874	922	6:SP3_SP3_SP3	O[6]	B[6]	S[6,6]	3:4:	3:3:4:2:	4:2:2:	S[6,6]-3:B[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	P[6,6]-4:O[6]-2:O[6]-2:	O[6](S[6,6]P[6,6]O[6])(B[6]C[6a]2C[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	S[6,6](P[6,6]C[6a]C[6]2)(O[6]B[6])2	O[6](S[6,6]P[6,6]O[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	S[6,6](P[6,6]C[6a]C[6]2)(O[6]B[6])2{2|C<4>,4|H<1>,6|C<3>}	124.9760	7.310	2	124.9760	53.437	2	124.9760	53.437	2	124.9760	53.437	2	124.9760	53.437	2	124.9760	53.437	2
622	903	903	6:SP2_SP2_SP2	O[6]	Se[6]	Se[6]	3:3:	2:2:1:	2:2:1:	Se[6]-3:Se[6]-3:	O[6]-2:O[6]-2:O-1:	O[6]-2:O[6]-2:O-1:	O[6](Se[6]O[6]O)2	Se[6](O[6]Se[6])2(O)	Se[6](O[6]Se[6])2(O)	O[6](Se[6]O[6]O)2{1|Se<4>}	Se[6](O[6]Se[6])2(O){1|O<2>,3|O<1>}	Se[6](O[6]Se[6])2(O){1|O<2>,3|O<1>}	118.6940	3.726	2	118.6940	13.886	2	118.6940	13.886	2	118.6940	13.886	2	118.6940	13.886	2	118.6940	13.886	2
623	211	211	6:SP3_SP2_SP2	N[3x4,3x6a]	Ge[3x4,3x6a]	Ge[3x4,3x6a]	3:3:3:4:	4:4:4:	4:4:4:	Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:C[3x6]-4:	N[3x4,3x6a]-4:N[3x4,3x6a]-4:N[3x4,3x6a]-4:	N[3x4,3x6a]-4:N[3x4,3x6a]-4:N[3x4,3x6a]-4:	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3)	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3){1|Ge<3>,6|C<4>,6|H<1>}	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3{1|N<4>,9|C<4>}	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3{1|N<4>,9|C<4>}	97.0595	0.542	4	97.0595	0.294	4	97.0595	0.294	4	97.0595	0.294	4	97.0595	0.294	4	97.0595	0.294	4
623	211	466	0:SP3_SP2_SP3	N[3x4,3x6a]	Ge[3x4,3x6a]	C[3x6]	3:3:3:4:	4:4:4:	4:4:4:4:	Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:C[3x6]-4:	N[3x4,3x6a]-4:N[3x4,3x6a]-4:N[3x4,3x6a]-4:	N[3x4,3x6a]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3)	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3	C[3x6](N[3x4,3x6a]Ge[3x4,3x6a]3)(C[6,6]C[3x6]HH)3	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3){1|Ge<3>,6|C<4>,6|H<1>}	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3{1|N<4>,9|C<4>}	C[3x6](N[3x4,3x6a]Ge[3x4,3x6a]3)(C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>,3|N<4>}	120.0938	1.178	4	120.0938	1.387	4	120.0938	1.387	4	120.0938	1.387	4	120.0938	1.387	4	120.0938	1.387	4
623	490	490	0:SP3_SP3_SP3	N[4a,6a]	C	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	B[3,3,4a,6a]-5:B[3,4a,6a]-4:C-4:C-4:	N[4a,6a]-4:C-4:H-1:H-1:	N[4a,6a]-4:C-4:H-1:H-1:	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2{1|B<5>,3|B<6>,3|H<1>}	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.9875	0.310	2	109.9875	0.310	2
623	490	490	0:SP3_SP3_SP3	N[4a,6a]	C	C	5:5:4:4:	4:4:1:1:	4:4:1:1:	B[3,3,4a,6a]-5:B[3,4a,6a]-5:C-4:C-4:	N[4a,6a]-4:C-4:H-1:H-1:	N[4a,6a]-4:C-4:H-1:H-1:	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[3x3,5,6a]B[4x3,4a,5]RhH)(CCHH)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[3x3,5,6a]B[4x3,4a,5]RhH)(CCHH)2{3|B<6>,3|H<1>}	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	109.9875	0.310	2	109.9875	0.310	2
623	490	663	0:SP3_SP3_SPD5	N[4a,6a]	C	B[3,3,4a,6a]	5:4:4:4:	4:4:1:1:	6:6:4:2:1:	B[3,3,4a,6a]-5:B[3,4a,6a]-4:C-4:C-4:	N[4a,6a]-4:C-4:H-1:H-1:	B[4x3,5,6a]-6:B[4x3,4a,5]-6:N[4a,6a]-4:H[3]-2:H-1:	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	B[3,3,4a,6a](B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H[3]H)(B[4x3,4a,5]B[4x3,5,6a]2B[3,4a,6a]B[5x3,6a]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H)	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2{1|B<5>,3|B<6>,3|H<1>}	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	B[3,3,4a,6a](B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H[3]H)(B[4x3,4a,5]B[4x3,5,6a]2B[3,4a,6a]B[5x3,6a]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H){1|Rh<10>,1|B<5>,1|B<6>,1|H<2>,4|H<1>}	113.2175	5.147	2	113.2175	26.492	2	113.2175	26.492	2	113.2175	26.492	2	112.6165	34.490	4	112.6165	34.490	4
623	490	663	0:SP3_SP3_SPD5	N[4a,6a]	C	B[3,3,4a,6a]	5:5:4:4:	4:4:1:1:	6:6:4:2:1:	B[3,3,4a,6a]-5:B[3,4a,6a]-5:C-4:C-4:	N[4a,6a]-4:C-4:H-1:H-1:	B[4x3,4a,5]-6:B[4x3,5,6a]-6:N[4a,6a]-4:H[3]-2:H-1:	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[3x3,5,6a]B[4x3,4a,5]RhH)(CCHH)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	B[3,3,4a,6a](B[4x3,4a,5]B[3x3,5,6a]B[4x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[4x3,5]H[3]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H)	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[3x3,5,6a]B[4x3,4a,5]RhH)(CCHH)2{3|B<6>,3|H<1>}	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	B[3,3,4a,6a](B[4x3,4a,5]B[3x3,5,6a]B[4x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[4x3,5]H[3]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H){1|Rh<10>,1|H<2>,2|B<6>,4|H<1>}	112.0155	8.691	2	112.0155	75.534	2	112.0155	75.534	2	112.0155	75.534	2	112.6165	34.490	4	112.6165	34.490	4
623	490	981	0:SP3_SP3_SP3	N[4a,6a]	C	B[3,4a,6a]	5:4:4:4:	4:4:1:1:	6:6:4:1:	B[3,3,4a,6a]-5:B[3,4a,6a]-4:C-4:C-4:	N[4a,6a]-4:C-4:H-1:H-1:	B[4x3,4a,5]-6:B[4x3,5,6a]-6:N[4a,6a]-4:H-1:	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	B[3,4a,6a](B[4x3,4a,5]B[3,3,4a,6a]B[4x3,5,6a]2B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3x3,5]B[3]H)(N[4a,6a]B[3,3,4a,6a]CC)(H)	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2{1|B<5>,3|B<6>,3|H<1>}	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	B[3,4a,6a](B[4x3,4a,5]B[3,3,4a,6a]B[4x3,5,6a]2B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3x3,5]B[3]H)(N[4a,6a]B[3,3,4a,6a]CC)(H){1|Rh<10>,1|B<6>,2|H<2>,5|H<1>}	117.5200	16.327	2	117.5200	266.574	2	117.5200	266.574	2	117.5200	266.574	2	117.5200	266.574	2	117.5200	266.574	2
623	663	981	6:SP3_SP3_SPD5	N[4a,6a]	B[3,3,4a,6a]	B[3,4a,6a]	5:4:4:4:	6:6:4:2:1:	6:6:4:1:	B[3,3,4a,6a]-5:B[3,4a,6a]-4:C-4:C-4:	B[4x3,5,6a]-6:B[4x3,4a,5]-6:N[4a,6a]-4:H[3]-2:H-1:	B[4x3,4a,5]-6:B[4x3,5,6a]-6:N[4a,6a]-4:H-1:	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2	B[3,3,4a,6a](B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H[3]H)(B[4x3,4a,5]B[4x3,5,6a]2B[3,4a,6a]B[5x3,6a]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H)	B[3,4a,6a](B[4x3,4a,5]B[3,3,4a,6a]B[4x3,5,6a]2B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3x3,5]B[3]H)(N[4a,6a]B[3,3,4a,6a]CC)(H)	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2{1|B<5>,3|B<6>,3|H<1>}	B[3,3,4a,6a](B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H[3]H)(B[4x3,4a,5]B[4x3,5,6a]2B[3,4a,6a]B[5x3,6a]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H){1|Rh<10>,1|B<5>,1|B<6>,1|H<2>,4|H<1>}	B[3,4a,6a](B[4x3,4a,5]B[3,3,4a,6a]B[4x3,5,6a]2B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3x3,5]B[3]H)(N[4a,6a]B[3,3,4a,6a]CC)(H){1|Rh<10>,1|B<6>,2|H<2>,5|H<1>}	82.5464	0.000	1	82.5464	0.000	1	82.5464	0.000	1	82.5464	0.000	1	82.5464	0.000	1	82.5464	0.000	1
630	542	830	0:SPD6_SP-NON_SP2	As	N[5]	F	3:1:1:1:1:1:	3:2:6:	6:	N[5]-3:F-1:F-1:F-1:F-1:F-1:	C[5]-3:S[5]-2:As-6:	As-6:	As(N[5]C[5]S[5])(F)5	N[5](C[5]C[6a]N[5])(S[5]C[5])(AsF5)	F(AsN[5]F4)	As(N[5]C[5]S[5])(F)5	N[5](C[5]C[6a]N[5])(S[5]C[5])(AsF5){3|C<3>}	F(AsN[5]F4)	104.8928	40.664	5	104.8928	1653.527	5	104.8928	1653.527	5	104.8928	1653.527	5	104.8928	1653.527	5	104.8928	1653.527	5
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	1:1:1:1:1:1:	6:	6:	F-1:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(F)6	F(AsF5)	F(AsF5)	As(F)6	F(AsF5)	F(AsF5)	108.2112	35.818	704	108.2112	1282.965	704	108.2112	1282.965	704	108.2112	1282.965	704	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	2:1:1:1:1:1:	6:	6:	F-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(FCd)(F)5	F(AsF5)	F(AsF5)	As(FCd)(F)5	F(AsF5)	F(AsF5)	107.9559	36.411	10	107.9559	1325.763	10	107.8437	1192.211	50	109.3209	1222.635	78	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	2:1:1:1:1:1:	6:	6:	F-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(FLi)(F)5	F(AsF5)	F(AsF5)	As(FLi)(F)5	F(AsF5)	F(AsF5)	107.5927	36.203	10	107.5927	1310.670	10	107.8437	1192.211	50	109.3209	1222.635	78	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	2:1:1:1:1:1:	6:	6:	F-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(FMg)(F)5	F(AsF5)	F(AsF5)	As(FMg)(F)5	F(AsF5)	F(AsF5)	107.8905	35.306	20	107.8905	1246.531	20	107.8437	1192.211	50	109.3209	1222.635	78	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	2:1:1:1:1:1:	6:	6:	F-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(FTc)(F)5	F(AsF5)	F(AsF5)	As(FTc)(F)5	F(AsF5)	F(AsF5)	107.8892	34.969	10	107.8892	1222.835	10	107.8437	1192.211	50	109.3209	1222.635	78	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	2:1:1:1:1:1:	6:	6:	N-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(NC)(F)5	F(AsF4N)	F(AsF4N)	As(NC)(F)5	F(AsF4N)	F(AsF4N)	111.9588	36.220	28	111.9588	1311.876	28	111.9588	1311.876	28	109.3209	1222.635	78	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	2:2:1:1:1:1:	6:	6:	F-2:F-2:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(FCd)2(F)4	F(AsF5)	F(AsF5)	As(FCd)2(F)4	F(AsF5)	F(AsF5)	105.6539	34.738	6	105.6539	1206.738	6	105.6539	1206.738	6	105.6539	1206.738	6	108.2967	1270.988	798	108.2967	1270.988	798
630	830	830	0:SPD6_SP-NON_SP-NON	As	F	F	3:1:1:1:1:1:	6:	6:	N[5]-3:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:	As(N[5]C[5]S[5])(F)5	F(AsN[5]F4)	F(AsN[5]F4)	As(N[5]C[5]S[5])(F)5	F(AsN[5]F4)	F(AsN[5]F4)	107.9126	34.555	10	107.9126	1194.056	10	107.9126	1194.056	10	107.9126	1194.056	10	108.2967	1270.988	798	108.2967	1270.988	798
630	830	941	0:SPD6_SP-NON_SP2	As	F	N	2:1:1:1:1:1:	6:	2:6:	N-2:F-1:F-1:F-1:F-1:F-1:	As-6:	C-2:As-6:	As(NC)(F)5	F(AsF4N)	N(CC[3])(AsF5)	As(NC)(F)5	F(AsF4N)	N(CC[3])(AsF5)	117.7882	53.012	3	117.7882	2810.321	3	117.7911	2285.008	6	117.7911	2285.008	6	113.2330	1888.477	14	113.2330	1888.477	14
630	830	941	0:SPD6_SP-NON_SP2	As	F	N	2:1:1:1:1:1:	6:	2:6:	N-2:F-1:F-1:F-1:F-1:F-1:	As-6:	C-2:As-6:	As(NC)(F)5	F(AsF4N)	N(CC[6a])(AsF5)	As(NC)(F)5	F(AsF4N)	N(CC[6a])(AsF5)	117.7940	53.872	3	117.7940	2902.200	3	117.7911	2285.008	6	117.7911	2285.008	6	113.2330	1888.477	14	113.2330	1888.477	14
630	830	941	0:SPD6_SP-NON_SP2	As	F	N	2:1:1:1:1:1:	6:	6:2:	N-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:C-2:	As(NC)(F)5	F(AsF4N)	N(AsF5)(CC)	As(NC)(F)5	F(AsF4N)	N(AsF5)(CC)	104.9763	41.244	5	104.9763	1701.078	5	109.8144	1843.859	8	109.8144	1843.859	8	113.2330	1888.477	14	113.2330	1888.477	14
630	830	941	0:SPD6_SP-NON_SP2	As	F	N	2:1:1:1:1:1:	6:	6:2:	N-2:F-1:F-1:F-1:F-1:F-1:	As-6:	As-6:C-2:	As(NC)(F)5	F(AsF4N)	N(AsF5)(CH)	As(NC)(F)5	F(AsF4N)	N(AsF5)(CH)	117.8780	53.808	3	117.8780	2895.303	3	109.8144	1843.859	8	109.8144	1843.859	8	113.2330	1888.477	14	113.2330	1888.477	14
630	856	941	0:SPD6_SP2_SP2	As	N[6]	N	3:2:2:2:2:2:	3:3:6:	6:2:	N[6]-3:N-2:N-2:N-2:N-2:N-2:	C[6]-3:C[6]-3:As-6:	As-6:N-2:	As(N[6]C[6]2)(NN)5	N[6](C[6]C[6]H)2(AsN5)	N(AsN[6]N4)(NN)	As(N[6]C[6]2)(NN)5	N[6](C[6]C[6]H)2(AsN5){1|C<3>,2|H<1>}	N(AsN[6]N4)(NN)	105.6837	39.238	5	105.6837	1539.634	5	105.6837	1539.634	5	105.6837	1539.634	5	105.6837	1539.634	5	105.6837	1539.634	5
630	941	941	0:SPD6_SP2_SP2	As	N	N	2:2:2:2:2:2:	6:2:	6:2:	N-2:N-2:N-2:N-2:N-2:N-2:	As-6:N-2:	As-6:N-2:	As(NN)6	N(AsN5)(NN)	N(AsN5)(NN)	As(NN)6	N(AsN5)(NN)	N(AsN5)(NN)	102.8571	34.096	7	102.8571	1162.526	7	102.8571	1162.526	7	102.8571	1162.526	7	105.8770	1175.328	17	105.8770	1175.328	17
630	941	941	0:SPD6_SP2_SP2	As	N	N	3:2:2:2:2:2:	6:2:	6:2:	N[6]-3:N-2:N-2:N-2:N-2:N-2:	As-6:N-2:	As-6:N-2:	As(N[6]C[6]2)(NN)5	N(AsN[6]N4)(NN)	N(AsN[6]N4)(NN)	As(N[6]C[6]2)(NN)5	N(AsN[6]N4)(NN)	N(AsN[6]N4)(NN)	107.9908	36.089	10	107.9908	1302.397	10	107.9908	1302.397	10	107.9908	1302.397	10	105.8770	1175.328	17	105.8770	1175.328	17
634	262	262	6:SP3_SP1_SP1	Ge[3,4,4,5,5,4x6]	Ge[4,5,3x6]	Ge[4,5,3x6]	4:4:2:2:	5:4:	5:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6])	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6])	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]){1|Ge<5>}	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]){1|Ge<5>}	63.0312	0.000	1	63.0312	0.000	1	63.0312	0.000	1	63.0312	0.000	1	63.0312	0.000	1	63.0312	0.000	1
634	262	634	4:SP3_SP1_SP3	Ge[3,4,4,3x5,6]	Ge[4,5,6]	Ge[3,3,4,4x5]	4:4:3:2:	4:3:	4:4:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,4,4,3x5,6]-4:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6]){1|Ge<3>,1|Ge<4>}	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	66.0011	0.000	1	66.0011	0.000	1	66.0011	0.000	1	66.0011	0.000	1	66.0011	0.000	1	67.6310	1.999	3
634	262	634	4:SP3_SP1_SP3	Ge[3,4,4,5,5,4x6]	Ge[4,5,3x6]	Ge[3x3,4,5,5,6]	4:4:2:2:	5:4:	4:4:5:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6])	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]){1|Ge<5>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	68.4460	0.118	2	68.4460	0.014	2	68.4460	0.014	2	68.4460	0.014	2	68.4460	0.014	2	67.6310	1.999	3
634	262	634	5:SP3_SP1_SP3	Ge[3,4,4,3x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,5,5,3x6]	4:4:3:2:	4:4:	4:4:4:3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]){2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	65.5247	0.000	1	65.5247	0.000	1	65.5247	0.000	1	65.5247	0.000	1	65.5247	0.000	1	88.4028	392.659	3
634	262	634	5:SP3_SP1_SP3	Ge[3,4,4,5,5,4x6]	Ge[4,5,3x6]	Ge[3x3,4,5,5,6]	4:4:2:2:	5:4:	4:4:5:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6])	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[4,5,3x6](Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]){1|Ge<5>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	99.8418	0.454	2	99.8418	0.206	2	99.8418	0.206	2	99.8418	0.206	2	99.8418	0.206	2	88.4028	392.659	3
634	262	634	6:SP3_SP1_SP3	Ge[3,4,4,3x5,4x6]	Ge[4,5,5,6,6]	Ge[3,3,4,4,5,5,6,6]	4:4:3:2:	4:4:	4:4:3:3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]){2|Ge<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	100.6990	0.000	1	100.6990	0.000	1	100.6990	0.000	1	100.6990	0.000	1	100.6990	0.000	1	101.3310	0.799	2
634	262	634	6:SP3_SP1_SP3	Ge[3,4,4,3x5,6]	Ge[4,5,6]	Ge[3x3,4,5,6]	4:4:3:2:	4:3:	4:4:4:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,4,4,3x5,6]-4:Ge[4,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6]){1|Ge<3>,1|Ge<4>}	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	101.9630	0.000	1	101.9630	0.000	1	101.9630	0.000	1	101.9630	0.000	1	101.9630	0.000	1	101.3310	0.799	2
634	262	938	5:SP3_SP1_SP2	Ge[3,4,4,3x5,6]	Ge[4,5,6]	Ge[3,4,3x5]	4:4:3:2:	4:3:	4:4:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,4,4,3x5,6]-4:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6]){1|Ge<3>,1|Ge<4>}	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	63.8376	0.000	1	63.8376	0.000	1	63.8376	0.000	1	63.8376	0.000	1	63.8376	0.000	1	63.8376	0.000	1
634	466	634	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Ge[3]	4:4:4:4:	4:3:1:1:	4:4:4:1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	103.3215	0.098	2	103.3215	0.010	2	103.3215	0.010	2	103.0150	0.224	6	103.0150	0.224	6	103.0150	0.224	6
634	466	634	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Ge[3]	4:4:4:4:	4:3:1:1:	4:4:4:1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	103.1200	0.320	2	103.1200	0.102	2	103.1200	0.102	2	103.0150	0.224	6	103.0150	0.224	6	103.0150	0.224	6
634	466	634	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Ge[3]	4:4:4:4:	4:3:1:1:	4:4:4:1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	102.6035	0.677	2	102.6035	0.458	2	102.6035	0.458	2	103.0150	0.224	6	103.0150	0.224	6	103.0150	0.224	6
634	466	634	6:SP3_SP3_SP3	Ge[3,6]	C[6]	Ge[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	98.4100	0.024	2	98.4100	0.001	2	96.9988	1.367	6	96.9988	1.367	6	96.9988	1.367	6	96.9988	1.367	6
634	466	634	6:SP3_SP3_SP3	Ge[3,6]	C[6]	Ge[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	96.3649	0.330	2	96.3649	0.109	2	96.9988	1.367	6	96.9988	1.367	6	96.9988	1.367	6	96.9988	1.367	6
634	466	634	6:SP3_SP3_SP3	Ge[3,6]	C[6]	Ge[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	96.2214	0.853	2	96.2214	0.728	2	96.9988	1.367	6	96.9988	1.367	6	96.9988	1.367	6	96.9988	1.367	6
634	466	880	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Si	4:4:4:4:	4:3:1:1:	4:4:4:3:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:C-4:C-4:C-3:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	111.8367	1.783	6	111.8367	1.783	6
634	466	880	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Si	4:4:4:4:	4:3:1:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	110.8695	1.043	2	110.8695	1.088	2	112.0736	1.808	5	112.0736	1.808	5	111.8367	1.783	6	111.8367	1.783	6
634	466	880	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Si	4:4:4:4:	4:3:1:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	112.9095	1.142	2	112.9095	1.304	2	112.0736	1.808	5	112.0736	1.808	5	111.8367	1.783	6	111.8367	1.783	6
634	466	880	0:SP3_SP3_SP3	Ge[3,6]	C[6]	Si	4:4:4:4:	4:3:1:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	112.8100	0.000	1	112.8100	0.000	1	112.0736	1.808	5	112.0736	1.808	5	111.8367	1.783	6	111.8367	1.783	6
634	562	562	5:SP3_SP3_SP3	Ge[3,5]	Si[5]	Si[5]	4:4:3:3:	4:4:4:4:	4:4:4:4:	Si[5]-4:Si[5]-4:C[3]-3:C[3]-3:	Ge[3,5]-4:Si[5]-4:Si-4:Si-4:	Ge[3,5]-4:Si[5]-4:Si-4:Si-4:	Ge[3,5](Si[5]Si[5]Si2)2(C[3]C[6a]C[3])2	Si[5](Ge[3,5]Si[5]C[3]2)(Si[5]Si[5]CC)(SiC3)2	Si[5](Ge[3,5]Si[5]C[3]2)(Si[5]Si[5]CC)(SiC3)2	Ge[3,5](Si[5]Si[5]Si2)2(C[3]C[6a]C[3])2{4|C<3>,4|C<4>}	Si[5](Ge[3,5]Si[5]C[3]2)(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<3>,2|C<4>}	Si[5](Ge[3,5]Si[5]C[3]2)(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<3>,2|C<4>}	113.8860	0.000	2	113.8860	0.000	2	113.8860	0.000	2	113.8860	0.000	2	113.8860	0.000	2	113.8860	0.000	2
634	562	902	0:SP3_SP2_SP3	Ge[3,5]	Si[5]	C[3]	4:4:3:3:	4:4:4:4:	4:3:3:	Si[5]-4:Si[5]-4:C[3]-3:C[3]-3:	Ge[3,5]-4:Si[5]-4:Si-4:Si-4:	Ge[3,5]-4:C[3]-3:C[6a]-3:	Ge[3,5](Si[5]Si[5]Si2)2(C[3]C[6a]C[3])2	Si[5](Ge[3,5]Si[5]C[3]2)(Si[5]Si[5]CC)(SiC3)2	C[3](Ge[3,5]Si[5]2C[3])(C[3]Ge[3,5]C[6a])(C[6a]C[6a]2)	Ge[3,5](Si[5]Si[5]Si2)2(C[3]C[6a]C[3])2{4|C<3>,4|C<4>}	Si[5](Ge[3,5]Si[5]C[3]2)(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<3>,2|C<4>}	C[3](Ge[3,5]Si[5]2C[3])(C[3]Ge[3,5]C[6a])(C[6a]C[6a]2){6|Si<4>,2|H<1>,4|C<3>}	120.9355	1.925	4	120.9355	3.707	4	120.9355	3.707	4	120.9355	3.707	4	120.9355	3.707	4	120.9355	3.707	4
634	634	634	0:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:3:3:	4:4:4:3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	125.7100	0.000	1	125.7100	0.000	1	125.7100	0.000	1	125.7100	0.000	1	125.7100	0.000	1	123.7997	25.181	3
634	634	634	0:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	4:4:4:3:	4:4:4:3:	4:4:4:3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	127.5820	0.000	1	127.5820	0.000	1	127.5820	0.000	1	127.5820	0.000	1	127.5820	0.000	1	123.7997	25.181	3
634	634	634	0:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,4,3x5,4x6]	4:4:4:3:	4:4:4:3:	4:4:3:2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	123.7997	25.181	3
634	634	634	3:SP3_SP3_SP3	Ge[3,3,4,4,4x6]	Ge[3,4,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	4:4:4:3:	4:4:4:4:	4:4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	60.9262	0.000	1	60.9262	0.000	1	60.9262	0.000	1	60.9262	0.000	1	60.9262	0.000	1	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,3,4,4x5]	Ge[3x3,4,5,6]	Ge[3,4,4,3x5,6]	4:4:3:3:	4:4:4:3:	4:4:3:2:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	61.9804	0.000	1	61.9804	0.000	1	61.9804	0.000	1	61.9804	0.000	1	61.9804	0.000	1	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,3,4]	Ge[3,3,4]	Ge[3,4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	60.4139	0.557	4	60.4139	0.310	4	60.4139	0.310	4	60.4139	0.310	4	60.4139	0.310	4	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,4,4,3x5,6]	Ge[3x3,4,5,6]	Ge[3,3,4,4x5]	4:4:3:2:	4:4:4:3:	4:4:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	56.0718	0.000	1	56.0718	0.000	1	56.0718	0.000	1	56.0718	0.000	1	56.0718	0.000	1	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,4,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	Ge[3,3,4,4,4x6]	4:4:4:4:	4:4:4:4:	4:4:4:3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	90.9517	36.288	4	90.9517	1316.793	4	90.9517	1316.793	4	90.9517	1316.793	4	90.9517	1316.793	4	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,4,4,5,5,4x6]	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	4:4:2:2:	4:4:5:4:	4:4:5:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	61.9833	0.000	1	61.9833	0.000	1	61.9833	0.000	1	61.9833	0.000	1	61.9833	0.000	1	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,4,4]	Ge[3,3,4]	Ge[3,3,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	59.1723	0.087	2	59.1723	0.008	2	59.1723	0.008	2	59.1723	0.008	2	59.1723	0.008	2	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Ge[3]	4:4:4:4:	4:4:4:4:	4:4:4:1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	60.3132	0.497	2	60.3132	0.247	2	60.3132	0.247	2	60.3691	0.135	6	60.3691	0.135	6	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Ge[3]	4:4:4:4:	4:4:4:4:	4:4:4:1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	60.3336	0.439	2	60.3336	0.193	2	60.3336	0.193	2	60.3691	0.135	6	60.3691	0.135	6	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Ge[3]	4:4:4:4:	4:4:4:4:	4:4:4:1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	60.4606	0.457	2	60.4606	0.209	2	60.4606	0.209	2	60.3691	0.135	6	60.3691	0.135	6	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3]	Ge[3,6]	Ge[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	59.3737	0.000	1	59.3737	0.000	1	59.3737	0.000	1	59.2618	0.026	3	59.2618	0.026	3	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3]	Ge[3,6]	Ge[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	59.3328	0.000	1	59.3328	0.000	1	59.3328	0.000	1	59.2618	0.026	3	59.2618	0.026	3	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3]	Ge[3,6]	Ge[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	59.0788	0.000	1	59.0788	0.000	1	59.0788	0.000	1	59.2618	0.026	3	59.2618	0.026	3	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:4:	4:4:5:4:	4:4:2:2:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	59.0084	0.323	2	59.0084	0.104	2	59.0084	0.104	2	59.0084	0.104	2	59.0084	0.104	2	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	4:4:5:4:	4:4:5:4:	4:4:5:5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	59.8458	0.484	2	59.8458	0.235	2	59.8458	0.235	2	59.8458	0.235	2	60.0000	0.111	6	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	4:4:5:5:	4:4:5:4:	4:4:5:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	60.3085	0.000	1	60.3085	0.000	1	60.3085	0.000	1	60.3085	0.000	1	60.0000	0.111	6	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	4:4:5:5:	4:4:5:5:	4:4:5:5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	60.0000	0.299	3	60.0000	0.089	3	60.0000	0.089	3	60.0000	0.089	3	60.0000	0.111	6	63.8979	236.547	32
634	634	634	3:SP3_SP3_SP3	Ge[3x3,4,5,6]	Ge[3,3,4,4x5]	Ge[3,4,4,3x5,6]	4:4:4:3:	4:4:3:3:	4:4:3:2:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	61.9478	0.000	1	61.9478	0.000	1	61.9478	0.000	1	61.9478	0.000	1	61.9478	0.000	1	63.8979	236.547	32
634	634	634	4:SP3_SP3_SP3	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	4:4:4:3:	4:4:4:3:	4:4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	69.6709	0.000	1	69.6709	0.000	1	69.6709	0.000	1	69.6709	0.000	1	69.6709	0.000	1	74.8396	37.272	4
634	634	634	4:SP3_SP3_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,5,6,6]	4:4:3:3:	4:4:4:3:	4:4:3:3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	69.4374	0.000	1	69.4374	0.000	1	69.4374	0.000	1	69.4374	0.000	1	69.4374	0.000	1	74.8396	37.272	4
634	634	634	4:SP3_SP3_SP3	Ge[3,3,4]	Ge[3,4,4]	Ge[3,4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	80.1249	0.215	2	80.1249	0.046	2	80.1249	0.046	2	80.1249	0.046	2	80.1249	0.046	2	74.8396	37.272	4
634	634	634	5:SP3_SP3_SP3	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	Ge[3x3,4,5,5,6]	4:4:5:4:	4:4:2:2:	4:4:5:5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	113.6090	0.147	2	113.6090	0.022	2	113.6090	0.022	2	113.6090	0.022	2	113.6090	0.022	2	110.3163	32.536	3
634	634	634	5:SP3_SP3_SP3	Ge[3x3,4,5,6]	Ge[3,3,4,4x5]	Ge[3,3,4,3x5,6]	4:4:4:3:	4:4:3:3:	4:3:3:3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	103.7310	0.000	1	103.7310	0.000	1	103.7310	0.000	1	103.7310	0.000	1	103.7310	0.000	1	110.3163	32.536	3
634	634	634	6:SP3_SP3_SP3	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	4:4:4:3:	4:4:4:3:	4:4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	98.6851	0.000	1	98.6851	0.000	1	98.6851	0.000	1	98.6851	0.000	1	98.6851	0.000	1	92.7194	126.610	11
634	634	634	6:SP3_SP3_SP3	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	4:4:3:3:	4:4:3:3:	4:4:3:3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	89.8584	6.033	4	89.8584	36.398	4	89.8584	36.398	4	89.8584	36.398	4	89.8584	36.398	4	92.7194	126.610	11
634	634	634	6:SP3_SP3_SP3	Ge[3,3,4,4,5,5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	4:4:3:3:	4:4:3:3:	4:4:3:2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	92.7194	126.610	11
634	634	634	6:SP3_SP3_SP3	Ge[3,4,4,3x5,4x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,5,6,6]	4:4:3:2:	4:4:4:3:	4:4:3:3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	69.8754	0.000	1	69.8754	0.000	1	69.8754	0.000	1	69.8754	0.000	1	69.8754	0.000	1	92.7194	126.610	11
634	634	634	6:SP3_SP3_SP3	Ge[3,4,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	90.0000	2.927	2	90.0000	8.568	2	90.0000	8.568	2	90.0000	8.568	2	90.0000	8.568	2	92.7194	126.610	11
634	634	634	6:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	4:4:4:3:	4:4:3:3:	4:4:3:2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	92.7194	126.610	11
634	634	634	6:SP3_SP3_SP3	Ge[3x3,4,5,6]	Ge[3,3,4,3x5,6]	Ge[3,4,4,3x5,6]	4:4:4:3:	4:3:3:3:	4:4:3:2:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	94.4316	0.000	1	94.4316	0.000	1	94.4316	0.000	1	94.4316	0.000	1	94.4316	0.000	1	92.7194	126.610	11
634	634	643	0:SP3_SP2_SP3	Ge[3,3]	Ge[3,3]	C[6a]	4:3:2:2:	4:3:2:2:	4:3:3:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:C[6a]-3:C[6a]-3:	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	C[6a](Ge[3,3]Ge[3,3]H[3]2)(C[6a]C[6a]2)2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	C[6a](Ge[3,3]Ge[3,3]H[3]2)(C[6a]C[6a]2)2{2|H<1>,6|C<3>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	118.8847	100.537	3
634	634	643	0:SP3_SP2_SP3	Ge[3]	Ge[3]	C[6a]	4:4:3:2:	4:4:3:2:	4:3:3:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	Ge[3]-4:C[6a]-3:C[6a]-3:	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	C[6a](Ge[3]Ge[3]C[5]S[3])(C[6a]C[6a]C)2	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	C[6a](Ge[3]Ge[3]C[5]S[3])(C[6a]C[6a]C)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	124.2850	5.108	2	124.2850	26.093	2	124.2850	26.093	2	124.2850	26.093	2	124.2850	26.093	2	118.8847	100.537	3
634	634	706	3:SP3_SP3_SP3	Ge[3]	Ge[3]	S[3]	4:4:3:2:	4:4:3:2:	4:4:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	Ge[3]-4:Ge[3]-4:	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	S[3](Ge[3]C[6a]Ge[3]C[5])2	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	S[3](Ge[3]C[6a]Ge[3]C[5])2{2|Fe<10>,4|C<3>,4|C<4>}	58.7685	0.035	2	58.7685	0.001	2	58.7685	0.001	2	58.7685	0.001	2	58.7685	0.001	2	58.7685	0.001	2
634	634	790	0:SP3_SP-NON_SP3	Ge[3]	Ge[3,6]	Cl	4:4:4:1:	4:4:4:4:	4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3]-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Cl(Ge[3]Ge[3,6]2Si)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Cl(Ge[3]Ge[3,6]2Si)	106.3740	0.363	2	106.3740	0.132	2	106.3740	0.132	2	106.3740	0.132	2	106.3740	0.132	2	106.3740	0.132	2
634	634	846	4:SP3_SP2_SP3	Ge[3,4]	Ge[3,4]	C[4]	4:3:3:4:	4:3:3:4:	4:3:1:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C[4]-3:H-1:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]C[6a])(H)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]C[6a])(H){2|Si<4>,2|C<3>}	73.2918	0.121	2	73.2918	0.015	2	73.2918	0.015	2	73.2918	0.015	2	74.2208	1.183	4	74.2208	1.183	4
634	634	846	4:SP3_SP2_SP3	Ge[3,4]	Ge[3,4]	C[4]	4:3:3:4:	4:3:3:4:	4:3:3:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C[4]-3:C[6a]-3:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2){2|Si<4>,2|C<3>,2|H<1>}	75.1497	0.288	2	75.1497	0.083	2	75.1497	0.083	2	75.1497	0.083	2	74.2208	1.183	4	74.2208	1.183	4
634	634	857	4:SP3_SP2_SP3	Ge[3,3,4,4x5]	Ge[3,4,4,3x5,6]	Ge[4,4x5,6]	4:4:3:3:	4:4:3:2:	4:3:2:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	104.4630	0.000	1	104.4630	0.000	1	104.4630	0.000	1	104.4630	0.000	1	104.4630	0.000	1	104.4630	0.000	1
634	634	857	5:SP3_SP2_SP3	Ge[3,3,4,4x5]	Ge[3x3,4,5,6]	Ge[4,4x5,6]	4:4:3:3:	4:4:4:3:	4:3:2:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1
634	634	880	0:SP3_SP3_SP3	Ge[3,3,4]	Ge[3,3,4]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,3,4]-4:C-4:C-4:C-4:	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Si(Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]2)(CC3)2(CH3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Si(Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]2)(CC3)2(CH3)	136.3070	0.293	2	136.3070	0.086	2	136.3070	0.086	2	136.3070	0.086	2	136.3070	0.086	2	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,3,4]	Ge[3,4,4]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,3,4]-4:C-4:C-4:C-4:	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Si(Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]2)(CC3)2(CH3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Si(Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]2)(CC3)2(CH3)	139.5030	5.742	4	139.5030	32.966	4	139.5030	32.966	4	139.5030	32.966	4	139.5030	32.966	4	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,4,4]	Ge[3,3,4]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,4,4]-4:C-4:C-4:C-4:	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Si(Ge[3,4,4]Ge[3,3,4]2Si[4,4])(CC3)2(CH3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Si(Ge[3,4,4]Ge[3,3,4]2Si[4,4])(CC3)2(CH3)	123.5015	1.831	4	123.5015	3.352	4	123.5015	3.352	4	123.5015	3.352	4	123.5015	3.352	4	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Si	4:5:3:4:	5:4:3:3:	4:4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,5,5,3x6]-4:Si-4:Si-4:Si-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Si(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(SiC3)3	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Si(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(SiC3)3	124.4605	1.336	2	124.4605	1.784	2	124.4605	1.784	2	124.4605	1.784	2	124.4605	1.784	2	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,4]	Ge[3,4]	Si	4:3:3:4:	4:3:3:4:	4:4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C-4:C-4:C-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	157.7360	1.271	2	157.7360	1.616	2	146.8625	160.153	4	146.8625	160.153	4	146.8625	160.153	4	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,4]	Ge[3,4]	Si	4:3:3:4:	4:3:3:4:	4:4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C-4:C-4:C-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	135.9890	2.431	2	135.9890	5.910	2	146.8625	160.153	4	146.8625	160.153	4	146.8625	160.153	4	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Si	4:4:4:4:	4:4:4:4:	4:4:4:3:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C-4:C-4:C-3:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	144.1960	0.000	1	144.1960	0.000	1	144.1960	0.000	1	144.1960	0.000	1	140.9448	13.689	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	140.7780	5.091	2	140.7780	25.920	2	140.2946	13.941	5	140.2946	13.941	5	140.9448	13.689	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	140.4645	5.255	2	140.4645	27.610	2	140.2946	13.941	5	140.2946	13.941	5	140.9448	13.689	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3,6]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	138.9880	0.000	1	138.9880	0.000	1	140.2946	13.941	5	140.2946	13.941	5	140.9448	13.689	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3]	Si	4:4:4:4:	4:4:4:1:	4:4:4:3:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6]-4:C-4:C-4:C-3:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	130.0430	0.000	1	130.0430	0.000	1	130.0430	0.000	1	130.0430	0.000	1	131.3537	7.222	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	131.3985	3.549	2	131.3985	12.595	2	131.3985	12.595	2	131.6158	8.512	5	131.3537	7.222	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	130.7960	3.964	2	130.7960	15.714	2	130.7960	15.714	2	131.6158	8.512	5	131.3537	7.222	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3,6]	Ge[3]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6]-4:C-4:C-4:C-4:	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	133.6900	0.000	1	133.6900	0.000	1	133.6900	0.000	1	131.6158	8.512	5	131.3537	7.222	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3]	Ge[3,6]	Si	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Si(Ge[3]Ge[3,6]2Br)(CC3)3	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3]Ge[3,6]2Br)(CC3)3	138.3630	5.245	2	138.3630	27.513	2	138.3630	27.513	2	138.1297	16.498	6	138.1297	16.498	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3]	Ge[3,6]	Si	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	Si(Ge[3]Ge[3,6]2Cl)(CC3)3	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3]Ge[3,6]2Cl)(CC3)3	138.3835	6.246	2	138.3835	39.011	2	138.3835	39.011	2	138.1297	16.498	6	138.1297	16.498	6	135.9874	75.582	34
634	634	880	0:SP3_SP3_SP3	Ge[3]	Ge[3,6]	Si	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	Si(Ge[3]Ge[3,6]2I)(CC3)3	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(Ge[3]Ge[3,6]2I)(CC3)3	137.6425	3.905	2	137.6425	15.252	2	137.6425	15.252	2	138.1297	16.498	6	138.1297	16.498	6	135.9874	75.582	34
634	634	907	0:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	4:4:4:3:	4:4:4:3:	4:4:2:2:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{1|Ge<3>,5|Ge<4>}	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1
634	634	907	4:SP3_SP3_SP3	Ge[3,4,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[4,4,4x5,5x6]	4:4:4:4:	4:4:4:3:	4:4:2:2:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{1|Ge<3>,5|Ge<4>}	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1
634	634	907	6:SP3_SP3_SP3	Ge[3,4,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[4,4,4x5,5x6]	4:4:4:4:	4:4:4:3:	4:3:2:2:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{4|Ge<4>}	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	114.9137	84.352	6
634	634	907	6:SP3_SP3_SP3	Ge[3,4,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	Ge[4,4,4x5,5x6]	4:4:4:4:	4:4:4:4:	4:3:2:2:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{4|Ge<4>}	118.9800	12.473	2	118.9800	155.585	2	118.9800	155.585	2	118.9800	155.585	2	118.1737	96.820	4	114.9137	84.352	6
634	634	907	6:SP3_SP3_SP3	Ge[3,4,4,5,5,3x6]	Ge[3,4,4,5,5,3x6]	Ge[4,4,4x5,5x6]	4:4:4:4:	4:4:4:4:	4:4:2:2:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{1|Ge<3>,5|Ge<4>}	117.3675	11.501	2	117.3675	132.275	2	117.3675	132.275	2	117.3675	132.275	2	118.1737	96.820	4	114.9137	84.352	6
634	634	907	6:SP3_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[4,4,4x5,5x6]	4:4:4:3:	4:4:4:3:	4:4:2:2:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{1|Ge<3>,5|Ge<4>}	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	114.9137	84.352	6
634	634	924	0:SP3_SP-NON_SP3	Ge[3]	Ge[3,6]	Br	4:4:4:1:	4:4:4:4:	4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3]-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	Br(Ge[3]Ge[3,6]2Si)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Br(Ge[3]Ge[3,6]2Si)	106.0820	0.139	2	106.0820	0.019	2	106.0820	0.019	2	106.0820	0.019	2	106.0820	0.019	2	106.0820	0.019	2
634	634	938	0:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	4:4:4:3:	4:4:4:3:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<3>,2|Ge<4>}	87.2593	0.000	1	87.2593	0.000	1	87.2593	0.000	1	87.2593	0.000	1	87.2593	0.000	1	97.6235	165.486	3
634	634	938	0:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:4:3:	4:4:4:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,4|Ge<4>}	93.5901	0.000	1	93.5901	0.000	1	93.5901	0.000	1	93.5901	0.000	1	93.5901	0.000	1	97.6235	165.486	3
634	634	938	0:SP3_SP2_SP3	Ge[3x3,4,5,6]	Ge[3,4,4,3x5,6]	Ge[3,3,5,5]	4:4:4:3:	4:4:3:2:	4:4:4:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	97.6235	165.486	3
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,3x5,6]	Ge[3x3,4,5,6]	Ge[3,3,5,5]	4:3:3:3:	4:4:4:3:	4:4:4:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	55.0331	0.000	1	55.0331	0.000	1	55.0331	0.000	1	55.0331	0.000	1	55.0331	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:4:3:	4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,4|Ge<4>}	59.0306	0.000	1	59.0306	0.000	1	59.0306	0.000	1	59.0306	0.000	1	59.0306	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<4>}	58.9207	0.000	1	58.9207	0.000	1	58.9207	0.000	1	58.9207	0.000	1	58.9207	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	4:4:3:3:	4:4:4:3:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<3>,2|Ge<4>}	62.8657	0.000	1	62.8657	0.000	1	62.8657	0.000	1	62.8657	0.000	1	59.4536	8.763	3	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	5:4:3:3:	4:5:3:4:	4:5:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	57.7475	0.250	2	57.7475	0.062	2	57.7475	0.062	2	57.7475	0.062	2	59.4536	8.763	3	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	59.8690	1.019	8	59.8690	1.038	8	59.8690	1.038	8	59.8690	1.038	8	59.8690	1.038	8	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,5,5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,5,3x6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<4>}	60.4844	0.000	1	60.4844	0.000	1	60.4844	0.000	1	60.4844	0.000	1	60.4844	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	Ge[3,4,4,5,5,6]	4:4:3:3:	4:4:3:2:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Ge<4>}	58.6036	0.000	1	58.6036	0.000	1	58.6036	0.000	1	58.6036	0.000	1	58.6036	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,3,4,4x5]	Ge[3x3,4,5,6]	Ge[3,3,5,5]	4:4:3:3:	4:4:4:3:	4:4:4:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	53.8603	0.000	1	53.8603	0.000	1	53.8603	0.000	1	53.8603	0.000	1	53.8603	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,4,4,3x5,4x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6]	4:4:3:2:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Ge<4>}	60.7826	0.000	1	60.7826	0.000	1	60.7826	0.000	1	60.7826	0.000	1	60.7826	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:4:3:	4:4:4:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,4|Ge<4>}	60.7035	0.000	1	60.7035	0.000	1	60.7035	0.000	1	60.7035	0.000	1	60.7035	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	4:4:4:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<3>,2|Ge<4>}	58.5630	0.000	1	58.5630	0.000	1	58.5630	0.000	1	58.5630	0.000	1	61.1068	4.953	3	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	4:5:3:4:	5:4:3:3:	4:5:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	62.3787	0.446	2	62.3787	0.199	2	62.3787	0.199	2	62.3787	0.199	2	61.1068	4.953	3	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,4]	Ge[3,4]	Ge[3]	4:3:3:4:	4:3:3:4:	4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	59.9352	0.219	2	59.9352	0.048	2	60.0122	0.025	4	60.0122	0.025	4	60.0122	0.025	4	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3,4]	Ge[3,4]	Ge[3]	4:3:3:4:	4:3:3:4:	4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	60.0892	0.043	2	60.0892	0.002	2	60.0122	0.025	4	60.0122	0.025	4	60.0122	0.025	4	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3x3,4,5,6]	Ge[3,3,4,3x5,6]	Ge[3,3,5,5]	4:4:4:3:	4:3:3:3:	4:4:4:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	58.4510	0.000	1	58.4510	0.000	1	58.4510	0.000	1	58.4510	0.000	1	58.4510	0.000	1	59.7563	5.624	28
634	634	938	3:SP3_SP2_SP3	Ge[3x3,4,5,6]	Ge[3,3,4,4x5]	Ge[3,3,5,5]	4:4:4:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	66.6234	0.000	1	66.6234	0.000	1	66.6234	0.000	1	66.6234	0.000	1	66.6234	0.000	1	59.7563	5.624	28
634	634	938	4:SP3_SP2_SP3	Ge[3,3,4,3x5,6]	Ge[3x3,4,5,6]	Ge[3,4,3x5]	4:3:3:3:	4:4:4:3:	4:4:3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	82.6744	0.000	1	82.6744	0.000	1	82.6744	0.000	1	82.6744	0.000	1	82.6744	0.000	1	78.1629	38.757	3
634	634	938	4:SP3_SP2_SP3	Ge[3,3,4,4,4x6]	Ge[3,4,4,5,5,3x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:4:4:	4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,4|Ge<4>}	71.0603	0.000	1	71.0603	0.000	1	71.0603	0.000	1	71.0603	0.000	1	71.0603	0.000	1	78.1629	38.757	3
634	634	938	4:SP3_SP2_SP3	Ge[3,4,4,3x5,6]	Ge[3x3,4,5,6]	Ge[3,4,3x5]	4:4:3:2:	4:4:4:3:	4:4:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	80.7540	0.000	1	80.7540	0.000	1	80.7540	0.000	1	80.7540	0.000	1	80.7540	0.000	1	78.1629	38.757	3
634	634	938	5:SP3_SP2_SP3	Ge[3,3,4,3x5,6]	Ge[3x3,4,5,6]	Ge[3,4x5,6]	4:3:3:3:	4:4:4:3:	4:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3x3,4,5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3,3,5,5]Ge[3,4,3x5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	104.8445	8.520	10
634	634	938	5:SP3_SP2_SP3	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	105.9093	1.043	4	105.9093	1.088	4	105.9093	1.088	4	105.9093	1.088	4	105.9093	1.088	4	104.8445	8.520	10
634	634	938	5:SP3_SP2_SP3	Ge[3,3,4,4,5,5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,5,5,6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Ge<4>}	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	104.8445	8.520	10
634	634	938	5:SP3_SP2_SP3	Ge[3,3,4,4x5]	Ge[3,4,4,3x5,6]	Ge[3,3,5,5]	4:4:3:3:	4:4:3:2:	4:4:4:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	102.5410	0.000	1	102.5410	0.000	1	102.5410	0.000	1	102.5410	0.000	1	102.5410	0.000	1	104.8445	8.520	10
634	634	938	5:SP3_SP2_SP3	Ge[3,4,4,3x5,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,4,5,5,6]	4:4:3:2:	4:4:4:3:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Ge<4>}	99.1305	0.000	1	99.1305	0.000	1	99.1305	0.000	1	99.1305	0.000	1	99.1305	0.000	1	104.8445	8.520	10
634	634	938	5:SP3_SP2_SP3	Ge[3,4,4,3x5,6]	Ge[3,3,4,4x5]	Ge[3,4,3x5]	4:4:3:2:	4:4:3:3:	4:4:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,4,4,3x5,6](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[4,4x5,6])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4x5,6])(Ge[4,5,6]Ge[4,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	104.8445	8.520	10
634	634	938	5:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,4,3x5,4x6]	Ge[3,4,3x5,6,6]	4:4:4:3:	4:4:3:2:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<3>,2|Ge<4>}	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	104.8445	8.520	10
634	634	938	6:SP3_SP2_SP3	Ge[3,3,4,4,4x6]	Ge[3,4,4,5,5,3x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:4:4:	4:4:4:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,3,4,4,4x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[4,4,4x5,5x6])2(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6])(Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]){1|Ge<3>,2|Ge<2>,5|Ge<4>}	Ge[3,4,4,5,5,3x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])2(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]Ge[3,4,5,5,3x6]2)(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,2|Ge<2>,3|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,4|Ge<4>}	100.1190	0.000	1	100.1190	0.000	1	100.1190	0.000	1	100.1190	0.000	1	100.1190	0.000	1	103.2248	11.249	10
634	634	938	6:SP3_SP2_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,3x5,6,6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<3>,2|Ge<4>}	99.2828	0.000	1	99.2828	0.000	1	99.2828	0.000	1	99.2828	0.000	1	99.2828	0.000	1	103.2248	11.249	10
634	634	938	6:SP3_SP2_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,4,5,3x6]	4:4:3:3:	4:4:4:3:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|Ge<2>,3|Ge<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<4>}	100.2830	0.000	1	100.2830	0.000	1	100.2830	0.000	1	100.2830	0.000	1	100.6913	0.126	3	103.2248	11.249	10
634	634	938	6:SP3_SP2_SP3	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,4,4,5,3x6]	5:4:3:3:	4:5:3:4:	5:4:5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	100.8955	0.039	2	100.8955	0.002	2	100.8955	0.002	2	100.8955	0.002	2	100.6913	0.126	3	103.2248	11.249	10
634	634	938	6:SP3_SP2_SP3	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	4:4:3:3:	4:4:3:3:	4:4:4:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	105.4550	1.133	4	105.4550	1.284	4	105.4550	1.284	4	105.4550	1.284	4	105.4550	1.284	4	103.2248	11.249	10
634	634	938	6:SP3_SP2_SP3	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	Ge[3,4,4,5,3x6]	4:4:3:3:	4:4:3:2:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6]){1|Ge<3>,2|Ge<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<4>}	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	103.2248	11.249	10
634	634	944	0:SP3_SP-NON_SP3	Ge[3]	Ge[3,6]	I	4:4:4:1:	4:4:4:4:	4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	Ge[3]-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	I(Ge[3]Ge[3,6]2Si)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	I(Ge[3]Ge[3,6]2Si)	106.7240	0.004	2	106.7240	0.000	2	106.7240	0.000	2	106.7240	0.000	2	106.7240	0.000	2	106.7240	0.000	2
634	634	968	0:SP3_SP-NON_SP3	Ge[3,3]	Ge[3,3]	H[3]	4:3:2:2:	4:3:2:2:	4:4:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:Ge[3,3]-4:	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	36.7892	0.257	2	36.7892	0.066	2	36.7892	0.066	2	36.7892	0.066	2	36.7892	0.066	2	36.7892	0.066	2
634	634	982	3:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:4:	4:4:5:5:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	58.2823	0.407	2	58.2823	0.165	2	58.2823	0.165	2	58.2823	0.165	2	58.9352	0.252	10	58.9352	0.252	10
634	634	982	3:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:5:4:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	59.6215	0.339	2	59.6215	0.115	2	59.6215	0.115	2	59.6215	0.115	2	58.9352	0.252	10	58.9352	0.252	10
634	634	982	3:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:5:5:	4:4:3:3:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-3:Ge[4,5,3x6]-3:Si-4:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3){1|Ge<3>,2|Si<4>}	58.9240	0.195	6	58.9240	0.038	6	58.9240	0.038	6	58.9240	0.038	6	58.9352	0.252	10	58.9352	0.252	10
634	634	982	4:SP3_SP3_SPD5	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,5,6,6]	5:4:3:3:	4:5:3:4:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Si-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	84.3681	0.648	2	84.3681	0.419	2	84.3681	0.419	2	84.3681	0.419	2	84.3681	0.419	2	91.2378	141.785	3
634	634	982	4:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	Ge[3,4,4,5,5,4x6]	4:4:5:4:	4:4:2:2:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	104.9770	0.000	1	104.9770	0.000	1	104.9770	0.000	1	104.9770	0.000	1	104.9770	0.000	1	91.2378	141.785	3
634	634	982	5:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:4:	4:4:5:4:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	95.1338	0.709	2	95.1338	0.503	2	95.1338	0.503	2	95.1338	0.503	2	98.5448	6.271	10	98.5448	6.271	10
634	634	982	5:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:5:4:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	96.3018	0.091	2	96.3018	0.008	2	96.3018	0.008	2	96.3018	0.008	2	98.5448	6.271	10	98.5448	6.271	10
634	634	982	5:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:5:5:	4:4:3:3:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-3:Ge[4,5,3x6]-3:Si-4:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3){1|Ge<3>,2|Si<4>}	100.4294	0.507	6	100.4294	0.257	6	100.4294	0.257	6	100.4294	0.257	6	98.5448	6.271	10	98.5448	6.271	10
634	634	982	6:SP3_SP3_SPD5	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	4:5:3:4:	5:4:3:3:	5:4:3:2:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:C-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH)	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH){1|Si<4>}	92.6234	0.627	2	92.6234	0.393	2	92.6234	0.393	2	92.6234	0.393	2	92.6234	0.393	2	96.6740	49.417	3
634	634	982	6:SP3_SP3_SPD5	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	Ge[3,4,4,5,5,4x6]	4:4:5:4:	4:4:2:2:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2){1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2{1|Ge<2>,2|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	96.6740	49.417	3
634	634	996	4:SP3_SP3_SP3	Ge[3,4,4]	Ge[3,3,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:Ge[3,3,4]-4:Si-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:C-4:C-4:	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3)	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Ge[3,3,4](Ge[3,4,4]Ge[3,3,4]Si[4,4]Si)2(Ge[3,3,4]Ge[3,4,4]2Si)(SiC3){2|C<4>}	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2{2|Si<4>}	90.8778	0.430	4	90.8778	0.184	4	90.8778	0.184	4	90.8778	0.184	4	90.8778	0.184	4	90.8778	0.184	4
634	643	706	0:SP3_SP2_SP3	Ge[3]	C[6a]	S[3]	4:4:3:2:	4:3:3:	4:4:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	Ge[3]-4:C[6a]-3:C[6a]-3:	Ge[3]-4:Ge[3]-4:	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	C[6a](Ge[3]Ge[3]C[5]S[3])(C[6a]C[6a]C)2	S[3](Ge[3]C[6a]Ge[3]C[5])2	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	C[6a](Ge[3]Ge[3]C[5]S[3])(C[6a]C[6a]C)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	S[3](Ge[3]C[6a]Ge[3]C[5])2{2|Fe<10>,4|C<3>,4|C<4>}	118.7030	1.212	2	118.7030	1.469	2	118.7030	1.469	2	118.7030	1.469	2	118.7030	1.469	2	118.7030	1.469	2
634	643	968	0:SP3_SP-NON_SP2	Ge[3,3]	C[6a]	H[3]	4:3:2:2:	4:3:3:	4:4:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:C[6a]-3:C[6a]-3:	Ge[3,3]-4:Ge[3,3]-4:	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	C[6a](Ge[3,3]Ge[3,3]H[3]2)(C[6a]C[6a]2)2	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	C[6a](Ge[3,3]Ge[3,3]H[3]2)(C[6a]C[6a]2)2{2|H<1>,6|C<3>}	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	107.8887	51.947	2	107.8887	2698.531	2	107.8887	2698.531	2	107.8887	2698.531	2	107.8887	2698.531	2	107.8887	2698.531	2
634	790	880	0:SP3_SP-NON_SP3	Ge[3]	Cl	Si	3:3:4:1:	4:	4:4:4:4:	Ge[3]-3:Ge[3]-3:Si-4:Cl-1:	Ge[3]-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Cl(Ge[3]Ge[3]2Si)	Si(Ge[3]Ge[3]2Cl)(CC3)3	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Cl(Ge[3]Ge[3]2Si)	Si(Ge[3]Ge[3]2Cl)(CC3)3	104.6200	0.000	1	104.6200	0.000	1	104.6200	0.000	1	104.6200	0.000	1	103.0430	4.974	2	103.0430	4.974	2
634	790	880	0:SP3_SP-NON_SP3	Ge[3]	Cl	Si	4:4:4:1:	4:	4:4:4:4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Cl-1:	Ge[3]-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl)	Cl(Ge[3]Ge[3,6]2Si)	Si(Ge[3]Ge[3,6]2Cl)(CC3)3	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Cl){2|C<3>,4|H<1>}	Cl(Ge[3]Ge[3,6]2Si)	Si(Ge[3]Ge[3,6]2Cl)(CC3)3	101.4660	0.000	1	101.4660	0.000	1	101.4660	0.000	1	101.4660	0.000	1	103.0430	4.974	2	103.0430	4.974	2
634	790	938	0:SP3_SP-NON_SP2	Ge[3]	Cl	Ge[3]	3:3:4:1:	4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Cl-1:	Ge[3]-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Cl(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Cl(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	110.8590	3.264	2	110.8590	10.654	2	110.8590	10.654	2	110.8590	10.654	2	110.8590	10.654	2	110.8590	10.654	2
634	846	880	0:SP3_SP2_SP3	Ge[3,4]	C[4]	Si	4:3:3:4:	4:3:1:	4:4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C[4]-3:H-1:	Ge[3,4]-4:C-4:C-4:C-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]C[6a])(H)	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]C[6a])(H){2|Si<4>,2|C<3>}	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	128.1365	0.646	2	128.1365	0.417	2	128.1365	0.417	2	128.1365	0.417	2	136.5178	93.806	4	136.5178	93.806	4
634	846	880	0:SP3_SP2_SP3	Ge[3,4]	C[4]	Si	4:3:3:4:	4:3:3:	4:4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C[4]-3:C[6a]-3:	Ge[3,4]-4:C-4:C-4:C-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2)	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2){2|Si<4>,2|C<3>,2|H<1>}	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	144.8990	0.141	2	144.8990	0.020	2	144.8990	0.020	2	144.8990	0.020	2	136.5178	93.806	4	136.5178	93.806	4
634	846	938	0:SP3_SP2_SP2	Ge[3,4]	C[4]	Ge[3]	4:3:3:4:	4:3:1:	4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C[4]-3:H-1:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]C[6a])(H)	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]C[6a])(H){2|Si<4>,2|C<3>}	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	59.7595	0.191	2	59.7595	0.037	2	59.7595	0.037	2	59.7595	0.037	2	62.0611	7.206	4	62.0611	7.206	4
634	846	938	0:SP3_SP2_SP2	Ge[3,4]	C[4]	Ge[3]	4:3:3:4:	4:3:3:	4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C[4]-3:C[6a]-3:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2)	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2){2|Si<4>,2|C<3>,2|H<1>}	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	64.3628	0.624	2	64.3628	0.390	2	64.3628	0.390	2	64.3628	0.390	2	62.0611	7.206	4	62.0611	7.206	4
634	857	938	5:SP3_SP2_SP2	Ge[3,3,4,4x5]	Ge[4,4x5,6]	Ge[3,3,5,5]	4:4:3:3:	4:3:2:	4:4:4:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	64.5407	0.000	1	64.5407	0.000	1	64.5407	0.000	1	64.5407	0.000	1	64.5407	0.000	1	64.5407	0.000	1
634	880	880	0:SP3_SP3_SP3	Ge[3]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[3]-3:C[3]-3:Si-4:Si-4:	Ge[3]-4:Si-4:Si-4:Si-4:	Ge[3]-4:Si-4:Si-4:Si-4:	Ge[3](C[3]C[6a]C[3])2(SiSi3)2	Si(Ge[3]C[3]2Si)(SiC3)3	Si(Ge[3]C[3]2Si)(SiC3)3	Ge[3](C[3]C[6a]C[3])2(SiSi3)2{4|C<3>}	Si(Ge[3]C[3]2Si)(SiC3)3	Si(Ge[3]C[3]2Si)(SiC3)3	133.8800	0.000	1	133.8800	0.000	1	133.8800	0.000	1	126.7795	100.834	2	126.7795	100.834	2	126.7795	100.834	2
634	880	880	0:SP3_SP3_SP3	Ge[3]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	Ge[3]-3:Ge[3]-3:Si-4:Si-4:	Ge[3]-4:Si-4:Si-4:Si-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Si(Ge[3]Ge[3]2Si)(SiC3)3	Si(Ge[3]Ge[3]2Si)(CC3)3	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Si(Ge[3]Ge[3]2Si)(SiC3)3	Si(Ge[3]Ge[3]2Si)(CC3)3	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	126.7795	100.834	2	126.7795	100.834	2	126.7795	100.834	2
634	880	902	0:SP3_SP2_SP3	Ge[3]	Si	C[3]	3:3:4:4:	4:4:4:4:	3:4:3:	C[3]-3:C[3]-3:Si-4:Si-4:	Ge[3]-4:Si-4:Si-4:Si-4:	C[3]-3:Ge[3]-4:C[6a]-3:	Ge[3](C[3]C[6a]C[3])2(SiSi3)2	Si(Ge[3]C[3]2Si)(SiC3)3	C[3](C[3]C[6a]Ge[3])(Ge[3]C[3]Si2)(C[6a]C[6a]2)	Ge[3](C[3]C[6a]C[3])2(SiSi3)2{4|C<3>}	Si(Ge[3]C[3]2Si)(SiC3)3	C[3](C[3]C[6a]Ge[3])(Ge[3]C[3]Si2)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.6665	2.470	4	111.6665	6.100	4	111.6665	6.100	4	111.6665	6.100	4	111.6665	6.100	4	111.6665	6.100	4
634	880	924	0:SP3_SP-NON_SP3	Ge[3]	Si	Br	3:3:4:1:	4:4:4:4:	4:	Ge[3]-3:Ge[3]-3:Si-4:Br-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Si(Ge[3]Ge[3]2Br)(CC3)3	Br(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Si(Ge[3]Ge[3]2Br)(CC3)3	Br(Ge[3]Ge[3]2Si)	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	104.4235	13.092	2	104.4235	13.092	2
634	880	924	0:SP3_SP-NON_SP3	Ge[3]	Si	Br	4:4:4:1:	4:4:4:4:	4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:Br-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br)	Si(Ge[3]Ge[3,6]2Br)(CC3)3	Br(Ge[3]Ge[3,6]2Si)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(Br){2|C<3>,4|H<1>}	Si(Ge[3]Ge[3,6]2Br)(CC3)3	Br(Ge[3]Ge[3,6]2Si)	101.8650	0.000	1	101.8650	0.000	1	101.8650	0.000	1	101.8650	0.000	1	104.4235	13.092	2	104.4235	13.092	2
634	880	938	0:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Si	Ge[3,4,3x5,6,6]	4:5:3:4:	4:4:4:4:	4:5:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,4,5,5,3x6]-4:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Si(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(SiC3)3	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Si(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(SiC3)3	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	118.8085	1.032	2	118.8085	1.064	2	118.8085	1.064	2	118.8085	1.064	2	118.8085	1.064	2	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3,4]	Si	Ge[3]	4:3:3:4:	4:4:4:4:	4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C-4:C-4:C-4:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3)	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[4]H)(SiC3){1|C<3>}	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	132.3330	1.816	2	132.3330	3.297	2	135.2962	17.137	4	135.2962	17.137	4	135.2962	17.137	4	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3,4]	Si	Ge[3]	4:3:3:4:	4:4:4:4:	4:4:4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3,4]-4:C-4:C-4:C-4:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3)	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3)	Ge[3,4](Ge[3,4]Ge[3]C[4]Si)(Ge[3]Ge[3,4]Si)(C[4]C[6a]C[4])(SiC3){1|H<1>,2|C<3>}	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	138.2595	3.604	2	138.2595	12.990	2	135.2962	17.137	4	135.2962	17.137	4	135.2962	17.137	4	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3]	Si	Ge[3]	3:3:4:1:	4:4:4:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Br-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Si(Ge[3]Ge[3]2Br)(CC3)3	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Si(Ge[3]Ge[3]2Br)(CC3)3	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	132.8200	0.635	2	132.8200	0.403	2	132.8200	0.403	2	132.7622	1.990	6	126.2924	72.303	10	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3]	Si	Ge[3]	3:3:4:1:	4:4:4:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Cl-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Si(Ge[3]Ge[3]2Cl)(CC3)3	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Si(Ge[3]Ge[3]2Cl)(CC3)3	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	133.5925	1.882	2	133.5925	3.540	2	133.5925	3.540	2	132.7622	1.990	6	126.2924	72.303	10	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3]	Si	Ge[3]	3:3:4:1:	4:4:4:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:I-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Si(Ge[3]Ge[3]2I)(CC3)3	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Si(Ge[3]Ge[3]2I)(CC3)3	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	131.8740	1.745	2	131.8740	3.046	2	131.8740	3.046	2	132.7622	1.990	6	126.2924	72.303	10	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3]	Si	Ge[3]	3:3:4:4:	4:4:4:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Si-4:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Si(Ge[3]Ge[3]2Si)(CC3)3	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Si(Ge[3]Ge[3]2Si)(CC3)3	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	118.1475	1.768	2	118.1475	3.128	2	118.1475	3.128	2	116.5877	4.303	4	126.2924	72.303	10	127.6079	74.121	16
634	880	938	0:SP3_SP2_SP3	Ge[3]	Si	Ge[3]	3:3:4:4:	4:4:4:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Si-4:	Ge[3]-4:Si-4:Si-4:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Si(Ge[3]Ge[3]2Si)(SiC3)3	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Si(Ge[3]Ge[3]2Si)(SiC3)3	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	115.0280	0.226	2	115.0280	0.051	2	115.0280	0.051	2	116.5877	4.303	4	126.2924	72.303	10	127.6079	74.121	16
634	880	944	0:SP3_SP-NON_SP3	Ge[3]	Si	I	3:3:4:1:	4:4:4:4:	4:	Ge[3]-3:Ge[3]-3:Si-4:I-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Si(Ge[3]Ge[3]2I)(CC3)3	I(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Si(Ge[3]Ge[3]2I)(CC3)3	I(Ge[3]Ge[3]2Si)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	105.6075	20.269	2	105.6075	20.269	2
634	880	944	0:SP3_SP-NON_SP3	Ge[3]	Si	I	4:4:4:1:	4:4:4:4:	4:	Ge[3,6]-4:Ge[3,6]-4:Si-4:I-1:	Ge[3]-4:C-4:C-4:C-4:	Ge[3]-4:	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I)	Si(Ge[3]Ge[3,6]2I)(CC3)3	I(Ge[3]Ge[3,6]2Si)	Ge[3](Ge[3,6]Ge[3,6]C[6]Si)2(SiC3)(I){2|C<3>,4|H<1>}	Si(Ge[3]Ge[3,6]2I)(CC3)3	I(Ge[3]Ge[3,6]2Si)	102.4240	0.000	1	102.4240	0.000	1	102.4240	0.000	1	102.4240	0.000	1	105.6075	20.269	2	105.6075	20.269	2
634	880	982	0:SP3_SP3_SPD5	Ge[3,4,5,5,3x6]	Si	Ge[3,4,4,3x5,4x6]	4:5:3:4:	4:4:4:4:	5:4:3:2:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,4,5,5,3x6]-4:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:C-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Si(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(SiC3)3	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH)	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Si(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(SiC3)3	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH){1|Si<4>}	128.4345	1.187	2	128.4345	1.410	2	128.4345	1.410	2	128.4345	1.410	2	128.4345	1.410	2	128.4345	1.410	2
634	880	996	0:SP3_SP3_SP3	Ge[3,4,4]	Si	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,4,4]-4:C-4:C-4:C-4:	Ge[3,4,4]-4:Ge[3,4,4]-4:C-4:C-4:	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Si(Ge[3,4,4]Ge[3,3,4]2Si[4,4])(CC3)2(CH3)	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Si(Ge[3,4,4]Ge[3,3,4]2Si[4,4])(CC3)2(CH3)	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2{2|Si<4>}	139.5345	1.068	2	139.5345	1.142	2	139.5345	1.142	2	139.5345	1.142	2	139.5345	1.142	2	139.5345	1.142	2
634	902	902	3:SP3_SP2_SP2	Ge[3,5]	C[3]	C[3]	4:4:3:3:	4:3:3:	4:3:3:	Si[5]-4:Si[5]-4:C[3]-3:C[3]-3:	Ge[3,5]-4:C[3]-3:C[6a]-3:	Ge[3,5]-4:C[3]-3:C[6a]-3:	Ge[3,5](Si[5]Si[5]Si2)2(C[3]C[6a]C[3])2	C[3](Ge[3,5]Si[5]2C[3])(C[3]Ge[3,5]C[6a])(C[6a]C[6a]2)	C[3](Ge[3,5]Si[5]2C[3])(C[3]Ge[3,5]C[6a])(C[6a]C[6a]2)	Ge[3,5](Si[5]Si[5]Si2)2(C[3]C[6a]C[3])2{4|C<3>,4|C<4>}	C[3](Ge[3,5]Si[5]2C[3])(C[3]Ge[3,5]C[6a])(C[6a]C[6a]2){6|Si<4>,2|H<1>,4|C<3>}	C[3](Ge[3,5]Si[5]2C[3])(C[3]Ge[3,5]C[6a])(C[6a]C[6a]2){6|Si<4>,2|H<1>,4|C<3>}	39.2128	0.000	2	39.2128	0.000	2	39.2128	0.000	2	39.2128	0.000	2	39.2128	0.000	2	39.2198	0.000	3
634	902	902	3:SP3_SP2_SP2	Ge[3]	C[3]	C[3]	3:3:4:4:	3:4:3:	3:4:3:	C[3]-3:C[3]-3:Si-4:Si-4:	C[3]-3:Ge[3]-4:C[6a]-3:	C[3]-3:Ge[3]-4:C[6a]-3:	Ge[3](C[3]C[6a]C[3])2(SiSi3)2	C[3](C[3]C[6a]Ge[3])(Ge[3]C[3]Si2)(C[6a]C[6a]2)	C[3](C[3]C[6a]Ge[3])(Ge[3]C[3]Si2)(C[6a]C[6a]2)	Ge[3](C[3]C[6a]C[3])2(SiSi3)2{4|C<3>}	C[3](C[3]C[6a]Ge[3])(Ge[3]C[3]Si2)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3]C[6a]Ge[3])(Ge[3]C[3]Si2)(C[6a]C[6a]2){2|H<1>,4|C<3>}	39.2338	0.000	1	39.2338	0.000	1	39.2338	0.000	1	39.2338	0.000	1	39.2338	0.000	1	39.2198	0.000	3
634	907	938	5:SP3_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	4:4:4:3:	4:4:2:2:	4:4:4:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6]){1|Ge<2>,2|Ge<3>,4|Ge<4>}	Ge[4,4,4x5,5x6](Ge[3,4,4,5,5,3x6]Ge[3,4,4,5,5,3x6]2Ge[3,3,4,4,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]2)(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{1|Ge<3>,5|Ge<4>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,4,5,5,3x6]2Ge[3,4,5,5,3x6])(Ge[4,4,4x5,5x6]Ge[3,4,4,5,5,3x6]Ge[4,5,5,6,6]2){1|Ge<3>,4|Ge<4>}	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1
634	924	938	0:SP3_SP-NON_SP2	Ge[3]	Br	Ge[3]	3:3:4:1:	4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Br-1:	Ge[3]-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Br(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Br(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	109.8770	1.741	2	109.8770	3.031	2	109.8770	3.031	2	109.8770	3.031	2	109.8770	3.031	2	109.8770	3.031	2
634	938	938	3:SP3_SP2_SP2	Ge[3,3,4,3x5,6]	Ge[3,4,3x5]	Ge[3,4x5,6]	4:3:3:3:	4:4:3:	4:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	60.5653	0.000	1	60.5653	0.000	1	60.5653	0.000	1	60.5653	0.000	1	60.5653	0.000	1	57.0129	5.192	7
634	938	938	3:SP3_SP2_SP2	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	3:3:3:3:	5:3:4:	3:4:4:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[3,4,5,5,3x6]-3:Ge[4,4,4x5,5x6]-4:Ge[3,3,4,4,4x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4{1|Ge<5>,2|Ge<2>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){1|Ge<5>}	58.4995	0.182	2	58.4995	0.033	2	58.4995	0.033	2	58.4995	0.033	2	58.4995	0.033	2	57.0129	5.192	7
634	938	938	3:SP3_SP2_SP2	Ge[3]	Ge[3]	Ge[3]	3:3:4:1:	4:3:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Br-1:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	56.0650	0.000	1	56.0650	0.000	1	56.0650	0.000	1	55.9136	0.017	3	55.3815	1.144	4	57.0129	5.192	7
634	938	938	3:SP3_SP2_SP2	Ge[3]	Ge[3]	Ge[3]	3:3:4:1:	4:3:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Cl-1:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	55.8516	0.000	1	55.8516	0.000	1	55.8516	0.000	1	55.9136	0.017	3	55.3815	1.144	4	57.0129	5.192	7
634	938	938	3:SP3_SP2_SP2	Ge[3]	Ge[3]	Ge[3]	3:3:4:1:	4:3:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:I-1:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	55.8242	0.000	1	55.8242	0.000	1	55.8242	0.000	1	55.9136	0.017	3	55.3815	1.144	4	57.0129	5.192	7
634	938	938	3:SP3_SP2_SP2	Ge[3]	Ge[3]	Ge[3]	3:3:4:4:	4:3:4:	4:3:4:	Ge[3]-3:Ge[3]-3:Si-4:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	53.7854	0.000	1	53.7854	0.000	1	53.7854	0.000	1	53.7854	0.000	1	55.3815	1.144	4	57.0129	5.192	7
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	3:3:3:3:	3:4:4:	3:4:4:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:	Ge[3,4,5,5,3x6]-3:Ge[4,4,4x5,5x6]-4:Ge[3,3,4,4,4x6]-4:	Ge[3,4,5,5,3x6]-3:Ge[4,4,4x5,5x6]-4:Ge[3,3,4,4,4x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4{1|Ge<5>,2|Ge<2>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){1|Ge<5>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){1|Ge<5>}	64.3373	0.000	1	64.3373	0.000	1	64.3373	0.000	1	64.3373	0.000	1	80.1653	501.051	2	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	3:3:3:3:	5:3:4:	5:3:4:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4{1|Ge<5>,2|Ge<2>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	95.9933	0.000	1	95.9933	0.000	1	95.9933	0.000	1	95.9933	0.000	1	80.1653	501.051	2	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,4,4,5,3x6]	4:4:3:3:	4:4:4:	4:4:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Ge<3>,2|Ge<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<3>,2|Ge<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<4>}	70.4466	0.000	1	70.4466	0.000	1	70.4466	0.000	1	70.4466	0.000	1	70.4466	0.000	1	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	5:4:3:3:	5:4:5:	4:5:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	65.2392	0.150	2	65.2392	0.023	2	65.2392	0.023	2	65.2392	0.023	2	65.2392	0.023	2	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	4:4:3:3:	4:4:4:	4:4:4:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])2(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	66.5519	4.002	4	66.5519	16.020	4	66.5519	16.020	4	66.5519	16.020	4	65.0823	7.792	10	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	5:5:3:3:	5:4:4:	5:4:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Bi)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Bi)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Bi)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Bi)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Bi)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3){1|Bi<3>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Bi)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3){1|Bi<3>}	62.5404	0.474	2	62.5404	0.225	2	62.5404	0.225	2	62.5404	0.225	2	65.0823	7.792	10	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	5:5:3:3:	5:4:5:	5:4:5:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2{1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	64.8836	0.205	4	64.8836	0.042	4	64.8836	0.042	4	64.8836	0.042	4	65.0823	7.792	10	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,5,5,6]	4:4:3:3:	4:4:4:	4:4:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Ge<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|Ge<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Ge<4>}	61.4099	0.000	1	61.4099	0.000	1	61.4099	0.000	1	61.4099	0.000	1	62.2839	5.189	3	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,5,5,6]	5:5:3:3:	5:4:5:	4:5:5:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	62.7209	3.038	2	62.7209	9.232	2	62.7209	9.232	2	62.7209	9.232	2	62.2839	5.189	3	66.3424	59.501	19
634	938	938	4:SP3_SP2_SP2	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6]	Ge[3,4,4,5,3x6]	5:5:3:3:	5:4:4:	5:4:4:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Sb)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Sb)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,3,4,4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Sb)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){2|C<3>}	Ge[3,4,4,5,5,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Sb<3>,2|C<3>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Sb)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|C<3>}	61.5755	0.000	1	61.5755	0.000	1	61.5755	0.000	1	61.5755	0.000	1	61.5755	0.000	1	66.3424	59.501	19
634	938	938	5:SP3_SP2_SP2	Ge[3,3,4,3x5,6]	Ge[3,3,5,5]	Ge[3,4,3x5]	4:3:3:3:	4:4:4:	4:4:3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	Ge[3,4,3x5](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4x5,6])(Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[4,5,6])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[4,4x5,6])	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	83.9138	604.022	3
634	938	938	5:SP3_SP2_SP2	Ge[3,3,4,3x5,6]	Ge[3,3,5,5]	Ge[3,4x5,6]	4:3:3:3:	4:4:4:	4:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6])	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	Ge[3,3,4,3x5,6](Ge[3x3,4,5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3,3,5,5])(Ge[3,3,5,5]Ge[3,3,4,4x5]Ge[3x3,4,5,6])(Ge[3,4,3x5]Ge[3,4,4,3x5,6]Ge[3,4x5,6])(Ge[3,4x5,6]Ge[3,4,3x5]Ge[4,4x5,6]){1|Ge<2>}	Ge[3,3,5,5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,4,4x5])(Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[4,4x5,6])(Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[3,4x5,6]){1|Ge<2>}	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	80.6536	0.000	1	80.6536	0.000	1	80.6536	0.000	1	80.6536	0.000	1	80.6536	0.000	1	83.9138	604.022	3
634	938	938	5:SP3_SP2_SP2	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	5:5:3:3:	5:4:4:	5:4:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Zn)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Zn)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Zn)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Zn)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Zn)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3){1|Zn<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Zn)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3){1|Zn<4>}	61.1297	0.000	1	61.1297	0.000	1	61.1297	0.000	1	61.1297	0.000	1	61.1297	0.000	1	83.9138	604.022	3
634	938	938	6:SP3_SP2_SP2	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	3:3:3:3:	5:3:4:	3:4:4:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[3,4,5,5,3x6]-3:Ge[4,4,4x5,5x6]-4:Ge[3,3,4,4,4x6]-4:	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4{1|Ge<5>,2|Ge<2>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2)(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){1|Ge<5>}	105.5880	0.580	2	105.5880	0.336	2	105.5880	0.336	2	105.5880	0.336	2	105.5880	0.336	2	105.5880	0.336	2
634	938	944	0:SP3_SP-NON_SP2	Ge[3]	Ge[3]	I	3:3:4:1:	4:3:4:	4:	Ge[3]-3:Ge[3]-3:Si-4:I-1:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-4:	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	I(Ge[3]Ge[3]2Si)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	I(Ge[3]Ge[3]2Si)	109.4825	2.251	2	109.4825	5.066	2	109.4825	5.066	2	109.4825	5.066	2	109.4825	5.066	2	109.4825	5.066	2
634	938	982	3:SP3_SP2_SPD5	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	5:4:3:3:	5:4:5:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Si-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	57.5750	0.420	2	57.5750	0.176	2	57.5750	0.176	2	57.5750	0.176	2	57.5750	0.176	2	58.8125	0.443	14
634	938	982	3:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	5:5:3:3:	5:4:5:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2{1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3){2|Si<4>}	58.9363	0.226	7	58.9363	0.051	7	58.9363	0.051	7	58.9363	0.051	7	58.9363	0.051	7	58.8125	0.443	14
634	938	982	3:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,3x6]	5:5:3:3:	5:4:5:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){1|Ge<2>,2|Si<4>}	58.9309	0.514	2	58.9309	0.264	2	58.9309	0.264	2	58.9309	0.264	2	58.9309	0.264	2	58.8125	0.443	14
634	938	982	3:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	4:5:5:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiC[6a]2C)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiC[6a]2C){2|Si<4>}	59.4812	0.000	1	59.4812	0.000	1	58.9480	0.569	2	58.9480	0.569	2	59.2697	0.595	3	58.8125	0.443	14
634	938	982	3:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	4:5:5:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	58.4147	0.000	1	58.4147	0.000	1	58.9480	0.569	2	58.9480	0.569	2	59.2697	0.595	3	58.8125	0.443	14
634	938	982	3:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	5:4:4:	4:3:3:2:3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:C[6a]-3:	Ge[3,3,4,4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Sb)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(C[6a]C[6a]2)	Ge[3,3,4,4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Sb)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){2|C<3>}	Ge[3,4,4,5,5,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]){1|Sb<3>,2|C<3>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(C[6a]C[6a]2){1|Sb<3>,2|C<3>,2|H<1>}	59.9131	0.000	1	59.9131	0.000	1	59.9131	0.000	1	59.9131	0.000	1	59.2697	0.595	3	58.8125	0.443	14
634	938	982	5:SP3_SP2_SPD5	Ge[3,3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,5,6,6]	5:4:3:3:	4:5:4:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Si-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	101.0690	0.000	1	101.0690	0.000	1	101.0690	0.000	1	101.0690	0.000	1	101.0690	0.000	1	100.7412	1.835	8
634	938	982	5:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	5:5:3:3:	5:4:5:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2{1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3){2|Si<4>}	100.5858	1.316	4	100.5858	1.732	4	100.5858	1.732	4	100.5858	1.732	4	100.5858	1.732	4	100.7412	1.835	8
634	938	982	5:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	5:4:5:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiC[6a]2C)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiC[6a]2C){2|Si<4>}	102.4570	0.000	1	102.4570	0.000	1	102.4570	0.000	1	102.4570	0.000	1	102.4570	0.000	1	100.7412	1.835	8
634	938	982	5:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,3x6]	5:5:3:3:	4:5:5:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){1|Ge<2>,2|Si<4>}	100.0305	1.868	2	100.0305	3.488	2	100.0305	3.488	2	100.0305	3.488	2	100.0305	3.488	2	100.7412	1.835	8
634	938	982	6:SP3_SP2_SPD5	Ge[3,3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,5,6,6]	5:4:3:3:	4:5:4:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Si-4:	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6]){1|Ge<2>,1|Si<4>,1|C<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	100.7220	0.000	1	100.7220	0.000	1	100.7220	0.000	1	100.7220	0.000	1	100.7220	0.000	1	102.2902	19.413	9
634	938	982	6:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,3x6]	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	5:5:3:3:	5:4:5:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2{1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3){2|Si<4>}	100.4611	0.917	4	100.4611	0.841	4	100.4611	0.841	4	100.4611	0.841	4	100.4611	0.841	4	102.2902	19.413	9
634	938	982	6:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	5:4:4:	4:3:3:2:3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:C[6a]-3:	Ge[3,3,4,4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Sb)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Sb)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(C[6a]C[6a]2)	Ge[3,3,4,4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C[6a])(Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Sb)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){2|C<3>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Sb)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]){1|C<3>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(C[6a]C[6a]2){1|Sb<3>,2|C<3>,2|H<1>}	96.5603	0.000	1	96.5603	0.000	1	96.5603	0.000	1	96.5603	0.000	1	99.5212	17.533	2	102.2902	19.413	9
634	938	982	6:SP3_SP2_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	5:4:5:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	102.4820	0.000	1	102.4820	0.000	1	102.4820	0.000	1	102.4820	0.000	1	99.5212	17.533	2	102.2902	19.413	9
634	938	982	6:SP3_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,4,4,3x5,4x6]	4:5:3:4:	4:5:4:	5:4:3:2:4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:C-4:	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH)	Ge[3,4,5,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]C)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH){1|Si<4>}	109.5015	0.248	2	109.5015	0.062	2	109.5015	0.062	2	109.5015	0.062	2	109.5015	0.062	2	102.2902	19.413	9
634	968	968	0:SP3_SP-NON_SP-NON	Ge[3,3]	H[3]	H[3]	4:3:2:2:	4:4:	4:4:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:Ge[3,3]-4:	Ge[3,3]-4:Ge[3,3]-4:	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	73.5784	0.000	1	73.5784	0.000	1	73.5784	0.000	1	73.5784	0.000	1	73.5784	0.000	1	73.5784	0.000	1
634	982	982	4:SP3_SPD5_SPD5	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:3:3:4:	4:4:3:3:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-3:Ge[4,5,3x6]-3:Si-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-3:Ge[4,5,3x6]-3:Si-4:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3){1|Ge<3>,2|Si<4>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3){1|Ge<3>,2|Si<4>}	89.4909	0.000	1	89.4909	0.000	1	89.4909	0.000	1	89.4909	0.000	1	89.4909	0.000	1	89.4909	0.000	1
634	982	982	6:SP3_SPD5_SPD5	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	5:5:3:3:	4:4:3:3:4:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6]-4:Ge[3,3,4,4,5,5,3x6]-4:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3)	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2Si)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2{1|Si<4>}	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3){2|Si<4>}	Ge[3,3,4,4,5,5,3x6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]Ge[3,4,4,5,5,6,6]2)2(Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]Ge[4x4,4x5,4x6])2(SiSi3){2|Si<4>}	81.3166	0.581	4	81.3166	0.337	4	81.3166	0.337	4	81.3166	0.337	4	81.3166	0.337	4	83.2576	18.977	9
634	982	982	6:SP3_SPD5_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	4:3:3:3:4:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiC[6a]2C)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){1|Ge<2>,2|Si<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiC[6a]2C){2|Si<4>}	83.6819	0.000	1	83.6819	0.000	1	86.3635	14.381	2	86.3635	14.381	2	86.3635	14.381	2	83.2576	18.977	9
634	982	982	6:SP3_SPD5_SPD5	Ge[3,3,4,4,5,5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:3:	4:3:3:3:4:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6])	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiSi3)	Ge[3,3,4,4,5,5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6])(Ge[3,4,4,5,5,6]Ge[3,4,4,3x5,4x6]Ge[3x4,4x5,4x6]){1|Si<4>}	Ge[3,3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,3x5,6,6])(Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Ge[3x4,4x5,4x6])(SiSi3){1|Ge<2>,2|Si<4>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(SiSi3){2|Si<4>}	89.0450	0.000	1	89.0450	0.000	1	86.3635	14.381	2	86.3635	14.381	2	86.3635	14.381	2	83.2576	18.977	9
634	982	982	6:SP3_SPD5_SPD5	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:2:2:3:	4:4:2:2:3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2C)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	75.5597	0.000	1	75.5597	0.000	1	75.5597	0.000	1	75.5597	0.000	1	83.7751	50.628	3	83.2576	18.977	9
634	982	982	6:SP3_SPD5_SPD5	Ge[3x3,4,5,5,6]	Ge[3,4,4,5,5,4x6]	Ge[3,4,4,5,5,4x6]	4:4:5:5:	4:4:3:3:4:	4:4:3:3:4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[3,4,4,5,5,4x6]-5:Ge[3,4,4,5,5,4x6]-5:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-3:Ge[4,5,3x6]-3:Si-4:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-3:Ge[4,5,3x6]-3:Si-4:	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3)	Ge[3x3,4,5,5,6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]2Ge[3x3,4,5,5,6])2(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]Ge[4,5,3x6]2Si)2{1|Pd<6>,1|Si<4>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3){1|Ge<3>,2|Si<4>}	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6]Pd)2(SiSi3){1|Ge<3>,2|Si<4>}	87.8828	0.130	2	87.8828	0.017	2	87.8828	0.017	2	87.8828	0.017	2	83.7751	50.628	3	83.2576	18.977	9
638	490	727	0:SP-NON_SP2_SP3	I[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:O[5]-2:C-4:	I[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)	C(I[5]C[5,6a]O[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C(I[5]C[5,6a]O[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	90.8324	0.000	1	90.8324	0.000	1	90.8324	0.000	1	90.8324	0.000	1	90.8324	0.000	1	90.8324	0.000	1
638	490	976	0:SP-NON_SP3_SP3	I[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:	I[5]-3:F-1:F-1:F-1:	C[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)	C(I[5]C[5,6a]O[5])(F)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C(I[5]C[5,6a]O[5])(F)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]C){2|C<3>}	169.3860	0.000	1	169.3860	0.000	1	169.3860	0.000	1	169.3860	0.000	1	169.3860	0.000	1	169.3860	0.000	1
638	643	727	0:SP-NON_SP2_SP2	I[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	I[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:I[5]-3:C[6a]-3:	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](I[5]C[5,6a]O[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](I[5]C[5,6a]O[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	94.7831	0.000	1	94.7831	0.000	1	94.7831	0.000	1	94.7831	0.000	1	94.7831	0.000	1	94.7831	0.000	1
638	643	976	0:SP-NON_SP2_SP3	I[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	I[5]-3:C[6a]-3:C[6a]-3:	I[5]-3:C[5]-4:	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](I[5]C[5,6a]O[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	O[5](I[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](I[5]C[5,6a]O[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[5](I[5]C[5,6a]C[6a])(C[5]C[5,6a]CC){4|C<3>}	169.3500	0.000	1	169.3500	0.000	1	169.3500	0.000	1	169.3500	0.000	1	169.3500	0.000	1	169.3500	0.000	1
638	727	790	0:SP-NON_SP-NON_SP2	I[5]	C[5,6a]	Cl	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	Cl(I[5]C[5,6a]O[5])	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	Cl(I[5]C[5,6a]O[5])	92.4969	0.085	2	92.4969	0.007	2	92.4969	0.007	2	92.4969	0.007	2	92.4969	0.007	2	92.4969	0.007	2
638	727	830	0:SP-NON_SP-NON_SP2	I[5]	C[5,6a]	F	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:F-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	F(I[5]C[5,6a]O[5])	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	F(I[5]C[5,6a]O[5])	86.8159	0.650	4	86.8159	0.423	4	86.8159	0.423	4	86.8159	0.423	4	86.8159	0.423	4	86.8159	0.423	4
638	727	893	0:SP-NON_SP2_SP2	I[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:C-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	O(I[5]C[5,6a]O[5])(CCO)	85.8896	0.165	2	86.1248	0.179	3	85.2913	2.898	4	85.2913	2.898	4	85.2913	2.898	4	85.2913	2.898	4
638	727	893	0:SP-NON_SP2_SP2	I[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:C-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	O(I[5]C[5,6a]O[5])(CCO)	86.5951	0.000	1	86.1248	0.179	3	85.2913	2.898	4	85.2913	2.898	4	85.2913	2.898	4	85.2913	2.898	4
638	727	893	0:SP-NON_SP2_SP2	I[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:C-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(I[5]C[5,6a]O[5])(CCO)	82.7910	0.000	1	82.7910	0.000	1	85.2913	2.898	4	85.2913	2.898	4	85.2913	2.898	4	85.2913	2.898	4
638	727	893	0:SP-NON_SP2_SP3	I[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:1:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:H-1:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	O(I[5]C[5,6a]O[5])(H)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	O(I[5]C[5,6a]O[5])(H)	98.4899	0.000	1	98.4899	0.000	1	98.4899	0.000	1	98.4899	0.000	1	92.4889	9.474	6	92.4889	9.474	6
638	727	893	0:SP-NON_SP2_SP3	I[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:C[4]-4:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	O(I[5]C[5,6a]O[5])(C[4]C[6a]C[4]2)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O(I[5]C[5,6a]O[5])(C[4]C[6a]C[4]2)	91.9665	0.000	1	91.9665	0.000	1	91.9665	0.000	1	91.9665	0.000	1	92.4889	9.474	6	92.4889	9.474	6
638	727	893	0:SP-NON_SP2_SP3	I[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:C-4:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	O(I[5]C[5,6a]O[5])(CH3)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC){1|H<1>,2|O<2>,2|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	O(I[5]C[5,6a]O[5])(CH3)	91.1192	1.093	4	91.1192	1.194	4	91.1192	1.194	4	91.1192	1.194	4	92.4889	9.474	6	92.4889	9.474	6
638	727	916	5:SP-NON_SP2_SP3	I[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:4:3:	C[5,6a]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	B[5]-4:B[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC){1|H<1>,2|O<2>,2|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	78.4763	0.524	4	78.4763	0.275	4	78.4763	0.275	4	78.4763	0.275	4	78.4763	0.275	4	78.4763	0.275	4
638	727	976	5:SP-NON_SP2_SP2	I[5,5]	C[5,5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	I[5,5]-3:C[5]-3:	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,2|O<1>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,2|O<1>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O){3|C<3>}	77.5992	0.436	2	77.5992	0.190	2	77.5992	0.190	2	77.5992	0.190	2	77.5992	0.190	2	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP2	I[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:B[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	O[5](I[5]C[5,6a]Cl)(B[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	O[5](I[5]C[5,6a]Cl)(B[5]C[5,6a]O){2|C<3>}	82.5185	0.765	2	82.5185	0.585	2	82.5185	0.585	2	82.5185	0.585	2	80.5167	10.902	8	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP2	I[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C){2|C<3>}	76.2350	0.000	1	76.2350	0.000	1	76.2350	0.000	1	79.8495	13.008	6	80.5167	10.902	8	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP2	I[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	B[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	83.0824	0.094	2	83.0895	0.005	3	83.0895	0.005	3	79.8495	13.008	6	80.5167	10.902	8	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP2	I[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	B[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	83.1036	0.000	1	83.0895	0.005	3	83.0895	0.005	3	79.8495	13.008	6	80.5167	10.902	8	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP2	I[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	77.7550	0.000	1	77.7550	0.000	1	76.7968	1.836	2	79.8495	13.008	6	80.5167	10.902	8	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP2	I[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O){2|C<3>,2|C<4>}	75.8385	0.000	1	75.8385	0.000	1	76.7968	1.836	2	79.8495	13.008	6	80.5167	10.902	8	79.9332	10.013	10
638	727	976	5:SP-NON_SP2_SP3	I[5,5]	C[5,5,6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[5,5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	I[5,5]-3:C[5]-4:	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,4|C<4>}	C[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	79.1230	0.287	2	79.1230	0.082	2	79.1230	0.082	2	79.1230	0.082	2	79.1230	0.082	2	79.5289	1.848	9
638	727	976	5:SP-NON_SP2_SP3	I[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:F-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]F)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]F){2|C<3>}	80.3013	0.210	4	80.3013	0.044	4	80.3013	0.044	4	80.3013	0.044	4	79.6449	2.380	7	79.5289	1.848	9
638	727	976	5:SP-NON_SP2_SP3	I[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]O){2|C<3>}	81.0731	0.000	1	81.0731	0.000	1	81.0731	0.000	1	81.0731	0.000	1	79.6449	2.380	7	79.5289	1.848	9
638	727	976	5:SP-NON_SP2_SP3	I[5]	C[5,6a]	O[5]	3:2:4:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]C){2|C<3>}	78.6586	0.000	1	78.6586	0.000	1	78.6586	0.000	1	78.6586	0.000	1	79.6449	2.380	7	79.5289	1.848	9
638	727	976	5:SP-NON_SP2_SP3	I[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:I[5]-3:C[6a]-3:	I[5]-3:C[5]-4:	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	O[5](I[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)	I[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](I[5]C[5,6a]C[6a])(C[5]C[5,6a]CC){4|C<3>}	76.5771	0.000	1	76.5771	0.000	1	76.5771	0.000	1	76.5771	0.000	1	79.6449	2.380	7	79.5289	1.848	9
638	727	983	0:SP-NON_SP1_SP2	I[5]	C[5,6a]	C	3:2:2:	3:3:3:	3:2:	C[5,6a]-3:O[5]-2:C-2:	C[5,6a]-3:C[6a]-3:I[5]-3:	I[5]-3:C-2:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	C(I[5]C[5,6a]O[5])(CC[6a])	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(I[5]C[5,6a]O[5])(CC[6a])	92.2685	0.000	1	92.2685	0.000	1	92.2685	0.000	1	92.2685	0.000	1	92.2685	0.000	1	92.2685	0.000	1
638	790	976	0:SP-NON_SP-NON_SP2	I[5]	Cl	O[5]	3:2:1:	3:	3:3:	C[5,6a]-3:O[5]-2:Cl-1:	I[5]-3:	I[5]-3:B[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl)	Cl(I[5]C[5,6a]O[5])	O[5](I[5]C[5,6a]Cl)(B[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl){1|H<1>,1|O<2>,2|C<3>}	Cl(I[5]C[5,6a]O[5])	O[5](I[5]C[5,6a]Cl)(B[5]C[5,6a]O){2|C<3>}	174.7100	0.935	2	174.7100	0.874	2	174.7100	0.874	2	174.7100	0.874	2	174.7100	0.874	2	174.7100	0.874	2
638	830	976	0:SP-NON_SP-NON_SP3	I[5]	F	O[5]	3:2:1:	3:	4:3:	C[5,6a]-3:O[5]-2:F-1:	I[5]-3:	C[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)	F(I[5]C[5,6a]O[5])	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]F)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F){1|H<1>,2|C<3>,2|C<4>}	F(I[5]C[5,6a]O[5])	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]F){2|C<3>}	166.6192	0.353	4	166.6192	0.124	4	166.6192	0.124	4	166.6192	0.124	4	166.6192	0.124	4	166.6192	0.124	4
638	893	916	0:SP-NON_SP3_SP3	I[5]	O	O[5]	3:3:2:	3:4:	4:4:3:	C[5,6a]-3:O[5]-3:O-2:	I[5]-3:C-4:	B[5]-4:B[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC)	O(I[5]C[5,6a]O[5])(CH3)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC){1|H<1>,2|O<2>,2|O<3>,3|C<3>}	O(I[5]C[5,6a]O[5])(CH3)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	169.5118	1.555	4	169.5118	2.419	4	169.5118	2.419	4	169.5118	2.419	4	169.5118	2.419	4	169.5118	2.419	4
638	893	976	0:SP-NON_SP2_SP2	I[5]	O	O[5]	3:2:2:	3:3:	3:3:	C[5,6a]-3:O[5]-2:O-2:	I[5]-3:C-3:	B[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	O(I[5]C[5,6a]O[5])(CCO)	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	O(I[5]C[5,6a]O[5])(CCO)	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	169.1790	0.503	3	169.1790	0.253	3	169.1790	0.253	3	169.1790	0.253	3	169.1790	0.253	3	169.1790	0.253	3
638	893	976	0:SP-NON_SP2_SP3	I[5]	O	O[5]	3:2:2:	3:1:	3:3:	C[5,6a]-3:O[5]-2:O-2:	I[5]-3:H-1:	C[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	O(I[5]C[5,6a]O[5])(H)	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	O(I[5]C[5,6a]O[5])(H)	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O){2|C<3>,2|C<4>}	169.2150	0.000	1	169.2150	0.000	1	169.2150	0.000	1	169.2150	0.000	1	167.5440	11.007	3	167.5440	11.007	3
638	893	976	0:SP-NON_SP2_SP3	I[5]	O	O[5]	3:2:2:	3:3:	4:3:	C[5,6a]-3:O[5]-2:O-2:	I[5]-3:C-3:	C[5]-4:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)	O(I[5]C[5,6a]O[5])(CCO)	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC){1|H<1>,2|C<3>,2|C<4>}	O(I[5]C[5,6a]O[5])(CCO)	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]O){2|C<3>}	163.7230	0.000	1	163.7230	0.000	1	163.7230	0.000	1	163.7230	0.000	1	167.5440	11.007	3	167.5440	11.007	3
638	893	976	0:SP-NON_SP2_SP3	I[5]	O	O[5]	3:2:2:	3:4:	3:3:	C[5,6a]-3:O[5]-2:O-2:	I[5]-3:C[4]-4:	C[5]-3:I[5]-3:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4])	O(I[5]C[5,6a]O[5])(C[4]C[6a]C[4]2)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4]){1|H<1>,1|O<1>,2|C<3>}	O(I[5]C[5,6a]O[5])(C[4]C[6a]C[4]2)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	169.6940	0.000	1	169.6940	0.000	1	169.6940	0.000	1	169.6940	0.000	1	167.5440	11.007	3	167.5440	11.007	3
638	976	976	0:SP-NON_SP2_SP2	I[5,5]	O[5]	O[5]	3:2:2:	3:3:	3:3:	C[5,5,6a]-3:O[5]-2:O[5]-2:	I[5,5]-3:C[5]-3:	I[5,5]-3:C[5]-3:	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O)	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,2|O<1>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O){3|C<3>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O){3|C<3>}	155.1970	0.000	1	155.1970	0.000	1	155.1970	0.000	1	155.1970	0.000	1	155.1970	0.000	1	155.1970	0.000	1
638	976	976	0:SP-NON_SP3_SP3	I[5,5]	O[5]	O[5]	3:2:2:	3:4:	3:4:	C[5,5,6a]-3:O[5]-2:O[5]-2:	I[5,5]-3:C[5]-4:	I[5,5]-3:C[5]-4:	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,4|C<4>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	158.2060	0.000	1	158.2060	0.000	1	158.2060	0.000	1	158.2060	0.000	1	158.2060	0.000	1	158.2060	0.000	1
638	976	983	0:SP-NON_SP1_SP2	I[5]	O[5]	C	3:2:2:	3:3:	3:2:	C[5,6a]-3:O[5]-2:C-2:	C[5]-3:I[5]-3:	I[5]-3:C-2:	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C)	C(I[5]C[5,6a]O[5])(CC[6a])	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C){2|C<3>}	C(I[5]C[5,6a]O[5])(CC[6a])	168.5010	0.000	1	168.5010	0.000	1	168.5010	0.000	1	168.5010	0.000	1	168.5010	0.000	1	168.5010	0.000	1
643	2	371	0:SP2_SP2_SP2	C[6a]	B[5]	N[6a]	3:2:3:	3:2:2:	3:3:	C[6a]-3:N[6a]-2:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2)	B[5](C[6a]C[6a]N[6a])(O[5]C[5])2	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2){2|C<3>,3|C<4>}	B[5](C[6a]C[6a]N[6a])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	B[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	B[5,5](C[5,5,6]C[3x5,6,6]C[5,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	B[5,5](C[5,5,6]C[3x5,6,6]C[5,6]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4560	4.296	2	121.4560	18.459	2	121.6920	9.001	6	121.6920	9.001	6	121.6920	9.001	6	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	B[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	B[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	B[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.0290	3.059	2	122.0290	9.357	2	121.6920	9.001	6	121.6920	9.001	6	121.6920	9.001	6	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	B[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	B[5,5](C[5,5,6]C[5,6]2Si)2(C[6a]C[6a]2)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	B[5,5](C[5,5,6]C[5,6]2Si)2(C[6a]C[6a]2){1|B<3>,3|C<3>,6|H<1>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.5910	4.103	2	121.5910	16.832	2	121.6920	9.001	6	121.6920	9.001	6	121.6920	9.001	6	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6,6a]	3:3:3:	3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	123.3485	0.667	2	123.3485	0.445	2	123.3485	0.445	2	122.8940	0.842	3	122.8940	0.842	3	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6,6a]	3:3:3:	3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	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>}	121.9850	0.000	1	121.9850	0.000	1	121.9850	0.000	1	122.8940	0.842	3	122.8940	0.842	3	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|O<2>,4|C<3>}	126.4790	0.000	1	124.9940	4.410	2	124.9693	2.207	3	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	123.5090	0.000	1	124.9940	4.410	2	124.9693	2.207	3	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){2|C<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	124.9200	0.000	1	124.9200	0.000	1	124.9693	2.207	3	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	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)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	125.3830	0.000	1	125.3830	0.000	1	125.3830	0.000	1	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-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,6a]B[5])(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(B[5]O[5]2){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|B<3>,3|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H){1|B<3>,2|H<1>,2|O<2>,3|C<3>}	119.1630	0.747	4	119.1630	0.557	4	122.0472	15.611	9	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-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,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	124.9380	0.272	2	124.9380	0.074	2	122.0472	15.611	9	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-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)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]Br)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]Br){2|C<3>,2|O<2>,4|H<1>}	130.2920	0.000	1	130.2920	0.000	1	122.0472	15.611	9	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-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]O[6a])(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(B[5]O[5]2){1|H<1>,2|C<4>,5|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|O<2>,3|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|O<2>}	120.8025	1.442	2	120.8025	2.079	2	122.0472	15.611	9	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H){2|O<2>,3|C<3>,3|H<1>}	124.4520	0.000	1	124.4520	0.000	1	124.4520	0.000	1	123.0834	12.061	14	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(B[5]C[5,6a]B[5])	B[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]2)(B[5]C[5,6a]PP)	C[6a,6a](C[6a]C[6a,6a]B[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(B[5]C[5,6a]B[5]){2|H<1>,2|P<4>,8|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]2)(B[5]C[5,6a]PP){1|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]B[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	120.9220	3.608	2	120.9220	13.015	2	120.9220	13.015	2	120.9220	13.015	2	122.8132	11.866	16	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:2:3:	3:2:2:	3:3:1:	C[6a]-3:N[6a]-2:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2)	B[5](C[6a]C[6a]N[6a])(O[5]C[5])2	C[6a](C[6a]N[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2){2|C<3>,3|C<4>}	B[5](C[6a]C[6a]N[6a])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]N[6a]B[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|O<2>}	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,3|O<2>}	116.1680	0.000	1	116.1680	0.000	1	119.2707	7.302	3	119.2707	7.302	3	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	120.8220	0.404	2	120.8220	0.164	2	119.2707	7.302	3	119.2707	7.302	3	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|O<2>}	126.0410	0.000	1	126.0410	0.000	1	126.0410	0.000	1	126.0410	0.000	1	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(B[5]O[5]2){1|Cl<1>,1|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	122.2680	0.000	2	122.2680	0.000	2	122.2680	0.000	2	122.2680	0.000	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2){1|C<3>,1|N<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC){1|C<3>,1|H<1>,2|O<2>}	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[5a,6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[5a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	114.1680	0.000	1	114.1680	0.000	1	118.3782	6.727	5	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[5a,6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[5a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	120.3790	0.974	2	120.3790	0.949	2	118.3782	6.727	5	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2	C[6a](C[6a]C[5a,6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]B[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|O<2>}	118.4825	0.453	2	118.4825	0.205	2	118.3782	6.727	5	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]B[5])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]B[5])(H){2|O<2>,5|C<3>}	118.5940	0.645	2	118.5940	0.416	2	118.5940	0.416	2	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[6,6a]B[5])(C[6a]C[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]B[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]B[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]B[5])(H){1|H<1>,2|O<2>,4|C<3>}	116.6270	1.129	2	116.6270	1.274	2	116.5225	0.466	4	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(H){1|H<1>,2|O<2>,4|C<3>}	116.4180	0.283	2	116.4180	0.080	2	116.5225	0.466	4	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){2|C<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a,6a]H)(H){2|O<2>,3|C<3>}	117.0620	0.000	1	117.0620	0.000	1	115.7725	8.559	4	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	117.0700	0.000	1	117.0700	0.000	1	115.7725	8.559	4	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	111.3980	0.000	1	111.3980	0.000	1	115.7725	8.559	4	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	117.5600	0.000	1	117.5600	0.000	1	115.7725	8.559	4	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	120.8530	0.167	3	120.8530	0.028	3	119.9056	3.034	5	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[5a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	118.4845	2.313	2	118.4845	5.350	2	119.9056	3.034	5	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(B[5]O[5]2){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]B[5])(H){1|Si<4>,1|C<3>,2|O<2>,4|C<4>}	117.7790	0.000	1	117.7790	0.000	1	121.0285	4.225	10	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	122.9525	0.083	2	122.6552	0.134	4	121.0285	4.225	10	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<2>}	122.3580	0.204	2	122.6552	0.134	4	121.0285	4.225	10	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	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>}	119.0260	0.000	1	119.0260	0.000	1	121.0285	4.225	10	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	118.9750	0.000	1	120.7148	4.026	4	121.0285	4.225	10	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]B[5])(H){1|H<1>,2|C<3>,3|O<2>}	121.2947	2.005	3	120.7148	4.026	4	121.0285	4.225	10	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a,6a]Br)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(Br)	C[6a](C[6a]C[6a,6a]Br)2(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|Br<1>,2|C<3>,4|C<4>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(Br){1|Br<1>,1|H<1>,2|O<2>,3|C<3>}	121.6995	0.428	2	121.6995	0.183	2	121.6995	0.183	2	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	120.1950	0.000	1	120.1950	0.000	1	119.9552	4.486	19	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(H){1|H<1>,3|C<3>,3|O<2>}	116.7318	0.900	4	116.7318	0.809	4	119.9552	4.486	19	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(H){1|B<3>,1|H<1>,2|O<2>,3|C<3>}	123.2020	0.000	1	120.8591	1.944	14	119.9552	4.486	19	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	120.6788	1.270	13	120.8591	1.944	14	119.9552	4.486	19	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|O<2>}	128.9400	0.000	1	128.9400	0.000	1	128.9400	0.000	1	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|O<2>}	126.5840	0.000	1	126.5840	0.000	1	126.5840	0.000	1	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]F)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]F)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Bi<5>,1|F<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F){1|Bi<5>,1|C<3>,1|H<1>,2|O<2>}	120.8910	0.512	3	120.8910	0.262	3	123.7215	5.643	8	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	125.7270	0.119	2	125.4198	0.129	5	123.7215	5.643	8	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F){1|Br<1>,1|C<3>,1|H<1>,2|O<2>}	125.5030	0.000	1	125.4198	0.129	5	123.7215	5.643	8	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	124.8910	0.000	1	125.4198	0.129	5	123.7215	5.643	8	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	125.2510	0.000	1	125.4198	0.129	5	123.7215	5.643	8	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	121.4520	0.000	1	121.4520	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]B[5])(H){2|O<2>,3|C<3>}	118.5680	0.000	1	118.5680	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]B[5])(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	120.6603	0.446	3	120.6603	0.199	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|O<2>}	122.6390	0.000	1	121.2143	1.915	9	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|O<2>}	122.9110	0.000	1	121.2143	1.915	9	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,3|O<2>}	120.7113	2.109	3	121.2143	1.915	9	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	120.8113	0.185	4	121.2143	1.915	9	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B[5])(H){1|H<1>,2|C<3>,2|O<2>}	122.4560	0.000	1	122.4560	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2){2|Br<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	115.3520	1.270	2	115.3520	1.613	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2){2|C<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	118.1495	0.111	2	118.1495	0.012	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>,2|O<2>}	114.8710	0.000	1	114.8710	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<2>,1|C<3>,2|O<2>}	116.8920	0.000	1	117.6610	1.140	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|C<4>,2|O<2>}	118.0455	1.180	2	117.6610	1.140	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	116.5780	0.173	2	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|C<3>,3|O<2>}	118.4980	0.000	1	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	116.9920	0.000	1	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	116.8277	0.584	6	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|O<2>}	117.7950	0.000	1	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	117.8693	0.613	8	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	116.9522	1.995	4	117.3117	1.070	23	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>}	117.5350	0.000	1	117.5350	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	115.3700	0.000	1	115.3700	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<2>,1|C<3>,1|H<1>,4|O<2>}	120.7090	0.000	1	118.1717	4.843	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<3>,2|C<4>,4|O<2>}	116.9030	0.171	2	118.1717	4.843	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	117.3480	0.000	1	117.3480	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|F<1>,2|O<2>}	118.3050	0.157	2	118.3050	0.025	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|F<1>,2|O<2>}	119.1030	0.000	1	119.5530	0.203	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,2|O<2>}	120.0030	0.000	1	119.5530	0.203	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|F<1>,2|O<2>}	119.5530	0.000	1	119.5530	0.203	3	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	117.1445	0.668	2	117.1445	0.447	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	117.2820	0.000	1	117.2820	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	115.4475	0.671	2	115.4475	0.450	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	117.2957	0.915	4	116.9878	1.102	5	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	115.7560	0.000	1	116.9878	1.102	5	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<3>,1|H<1>,5|O<2>}	119.3265	1.556	2	119.3265	2.422	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|O<2>}	117.3090	0.000	1	117.3090	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(B[5]O[5]2){1|Cl<1>,1|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|O<2>}	120.6950	0.000	2	120.6950	0.000	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2){1|C<3>,1|N<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,4|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H){1|N<2>,2|C<3>,3|O<2>}	119.3270	0.000	1	119.3270	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.3593	0.986	10	121.1612	1.657	24	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.3098	2.791	4	121.1612	1.657	24	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	120.8400	0.673	8	121.1612	1.657	24	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.1590	1.229	2	121.1612	1.657	24	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	120.3120	0.000	1	121.1006	0.404	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	121.9175	0.363	2	121.1006	0.404	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	120.9025	0.305	2	121.1006	0.404	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	120.8760	0.252	2	121.1006	0.404	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	121.3380	0.000	1	121.3380	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>}	120.7450	0.000	1	121.1451	0.248	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|B<3>,1|C<3>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|O<2>}	121.6910	0.006	2	121.1451	0.248	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|O<2>}	120.8755	0.750	2	121.1451	0.248	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|O<2>}	121.0690	0.103	2	121.1451	0.248	7	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,3|O<2>}	118.8110	0.000	1	118.8110	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|O<2>}	121.5060	1.628	2	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|O<2>}	123.6160	0.000	1	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	122.2515	1.610	8	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|O<2>}	120.9760	0.000	1	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	121.0763	0.425	4	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.2435	1.175	16	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	121.2133	0.830	3	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	121.4158	1.337	16	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|O<2>}	121.4290	2.181	2	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|O<2>}	121.3623	1.637	4	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	121.2859	0.911	26	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	121.1015	0.636	4	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	121.6150	0.407	2	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.0110	0.371	2	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|O<2>}	120.9345	0.281	2	121.3912	1.291	93	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	119.6854	1.490	8	119.6854	2.220	8	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|O<2>}	120.7970	0.000	1	120.7970	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,2|C<4>,2|S<2>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]S)(H){1|C<3>,2|H<1>,2|O<2>}	120.5940	0.000	1	120.5940	0.000	1	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Si)(H){1|Si<4>,1|C<3>,1|H<1>,2|O<2>}	121.4770	0.100	2	121.4770	0.010	2	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|O<2>}	122.1650	0.266	4	122.1650	0.071	4	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<2>,1|C<3>,1|H<1>,4|O<2>}	120.9970	0.000	1	120.6638	0.821	5	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<3>,1|H<1>,5|O<2>}	120.9225	1.630	2	120.6638	0.821	5	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|B<3>,1|C<3>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<3>,2|H<1>,4|O<2>}	120.2385	0.151	2	120.6638	0.821	5	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a]H)2(B[5]O[5]2){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<2>,2|C<3>,2|O<2>}	120.8315	0.073	4	120.8315	0.005	4	120.2718	4.094	231	120.2686	5.293	294	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a]2)(O[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(B[5]O[5]2){1|H<1>,2|C<4>,5|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|O<2>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a,6a]B[5])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	120.7020	0.834	2	120.7020	0.696	2	120.7020	0.696	2	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN){1|C<3>,2|H<1>,2|O<2>}	121.9010	0.000	1	121.9010	0.000	1	123.9073	4.176	3	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	125.9860	0.000	1	125.9860	0.000	1	123.9073	4.176	3	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>,2|O<2>}	123.8350	0.000	1	123.8350	0.000	1	123.9073	4.176	3	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	125.5190	0.981	4	125.5190	0.963	4	124.1842	5.350	8	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|O<2>}	125.0000	1.230	2	125.0000	1.514	2	124.1842	5.350	8	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	120.6990	0.542	2	120.6990	0.293	2	124.1842	5.350	8	123.5846	5.525	13	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[6a]-3:B[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(B[5]O[5]2)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(B[5]O[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(B[5]O[5]2){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|B<3>,3|C<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]B[5])(B[5]O[5]2){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	120.5427	0.762	4	120.5427	0.581	4	120.5427	0.581	4	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	121.4910	0.000	1	121.4910	0.000	1	121.4910	0.000	1	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>,2|O<2>}	122.7440	0.000	1	122.7440	0.000	1	125.3955	2.442	8	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	125.2920	0.000	1	126.3872	1.756	4	125.3955	2.442	8	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	126.7523	1.354	3	126.3872	1.756	4	125.3955	2.442	8	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,3|O<2>}	124.5520	0.000	1	124.5520	0.000	1	125.3955	2.442	8	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])2(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])2(CHN){1|C<3>,2|H<1>,4|O<2>}	125.1595	0.206	2	125.1595	0.042	2	125.3955	2.442	8	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2){2|C<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|O<2>,3|C<3>,3|H<1>}	123.3410	0.594	2	123.3410	0.353	2	124.4108	1.992	4	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(B[5]O[5]2){2|Br<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Br)(C[6a]C[6a]2){2|O<2>,3|C<3>,4|H<1>}	125.4805	1.023	2	125.4805	1.047	2	124.4108	1.992	4	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,2|O<2>}	125.8275	0.663	2	125.8275	0.439	2	124.8767	0.623	10	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	124.9245	0.210	2	124.6390	0.415	8	124.8767	0.623	10	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	124.2618	0.664	4	124.6390	0.415	8	124.8767	0.623	10	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	125.5360	0.000	1	124.6390	0.415	8	124.8767	0.623	10	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	124.6800	0.000	1	124.6390	0.415	8	124.8767	0.623	10	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	122.7255	0.805	2	122.7255	0.649	2	122.7255	0.649	2	124.0927	4.004	29	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(CH3)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(B[5]O[5]2){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|O<2>}	124.0870	0.000	1	124.0870	0.000	1	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	124.2035	0.725	2	124.7343	0.627	11	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	124.1020	0.000	1	124.7343	0.627	11	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|H<1>,2|C<3>,2|O<2>}	124.9460	0.795	8	124.7343	0.627	11	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	125.9840	0.021	2	125.9840	0.000	2	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>,2|O<2>}	124.7660	0.000	1	124.7660	0.000	1	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>,2|O<2>}	125.5360	0.615	5	125.5360	0.378	5	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>,2|O<2>}	124.4300	0.000	1	124.4300	0.000	1	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	C[6a](C[6a]C[6a]C)2(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.1690	0.000	1	121.1690	0.000	1	124.8262	1.293	22	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(B[5]O[5]2)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(PC[6]2B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(PC[6]2B){1|C<3>,2|H<1>,2|O<2>}	125.6020	0.000	1	125.6020	0.000	1	125.6020	0.000	1	124.8600	1.261	23	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5]O[5])(C[6a]C[6a]C)2	B[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]B[4,5])	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5]O[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	B[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]B[4,5]){1|O<2>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	120.7100	0.778	2	120.7100	0.605	2	120.7100	0.605	2	120.7100	0.605	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	115.9520	0.280	3	115.9520	0.078	3	115.9520	0.078	3	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5]C[5,6a]C[5])(C[6a]C[6a]F)2	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	C[6a](B[5]C[5,6a]C[5])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	122.7560	0.683	4	122.7560	0.466	4	122.7560	0.466	4	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.4460	2.325	12	121.4857	4.617	14	121.4857	4.617	14	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7240	0.634	2	121.4857	4.617	14	121.4857	4.617	14	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.4330	5.340	2	121.8319	7.496	8	121.8319	7.496	8	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.9648	2.169	6	121.8319	7.496	8	121.8319	7.496	8	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2	B[5](C[6a]C[6a]2)(C[5]B[5]C)(N[5]N[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(C[5]B[5]C)(N[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1919	1.476	12	122.1919	2.179	12	122.1919	2.179	12	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]N[5,5a]N[5])(C[6a]C[6a]H)2	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]N[5,5a]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.1425	0.217	2	121.1425	0.047	2	121.1425	0.047	2	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]N[5,5a]N[5])(C[6a]C[6a]H)2	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]N[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.1105	2.924	2	121.2120	4.081	4	121.2120	4.081	4	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]N[5,5a]N[5])(C[6a]C[6a]H)2	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]N[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.3135	1.911	2	121.2120	4.081	4	121.2120	4.081	4	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]N[5,6]C[5])(C[6a]C[6a]H)2	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]N[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7125	0.344	2	121.7125	0.119	2	121.7125	0.119	2	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]N[5,6a]C[5])(C[6a]C[6a]H)2	B[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]N[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6870	0.925	2	121.6870	0.855	2	121.6870	0.855	2	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8356	2.180	8	121.8356	4.753	8	121.8356	4.753	8	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]B[5])(B[5]C[5,6a]2)(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]B[5])(B[5]C[5,6a]2)(C[6a]C[6a]F){1|O<3>,2|F<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){1|B<4>,3|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[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(B[5]C[5]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2){2|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	121.7275	0.927	2	121.9210	1.727	6	121.9210	1.727	6	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[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(B[5]C[5]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2){2|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.6870	1.751	2	121.9210	1.727	6	121.9210	1.727	6	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[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(B[5]C[5]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2){2|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	122.3485	2.040	2	121.9210	1.727	6	121.9210	1.727	6	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]C[5]2)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2){2|Si<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2{1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.2555	2.355	2	121.2555	5.548	2	121.2555	5.548	2	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]N[5]2)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]N[5]2){1|B<3>,1|C<3>,1|H<1>,4|C<4>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.6550	0.000	1	122.0116	0.352	5	121.7533	0.682	6	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]N[5]2)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]N[5]2){1|C<3>,2|H<1>,4|C<4>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|N<3>}	121.8508	0.545	4	122.0116	0.352	5	121.7533	0.682	6	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]N[5]2)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]B[5])2(H)	C[6a](C[6a]C[6a]H)2(B[5]N[5]2){1|B<3>,1|C<3>,1|H<1>,4|C<4>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]B[5])2(H){1|C<3>,2|H<1>,4|N<3>}	120.4620	0.000	1	120.4620	0.000	1	121.7533	0.682	6	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[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(B[5]N[5]2)	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]N[5]2){1|C<4>,2|H<1>,4|C<3>}	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Cl<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.5198	1.478	4	121.5198	2.185	4	121.5198	2.185	4	121.4712	4.691	78	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3: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:	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	126.4333	0.364	3	126.4333	0.132	3	126.4333	0.132	3	126.4333	0.132	3	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,5a]2)(C[6a]C[6a]C)2	B[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH)	C[6a](B[5]C[5,5a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	120.6315	2.361	2	120.6315	5.574	2	120.4707	2.293	4	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,5a]2)(C[6a]C[6a]C)2	B[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH)	C[6a](B[5]C[5,5a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2){2|C<4>,2|S<2>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	120.3100	1.096	2	120.3100	1.201	2	120.4707	2.293	4	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	B[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	121.0495	0.931	2	120.8318	0.690	6	120.8318	0.690	6	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	B[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.8510	0.137	2	120.8318	0.690	6	120.8318	0.690	6	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	B[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.5950	1.534	2	120.8318	0.690	6	120.8318	0.690	6	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH)	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	120.5007	1.577	6	120.5007	2.488	6	121.0131	1.657	14	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){2|C<4>,3|C<3>}	122.1175	0.430	4	122.1175	0.185	4	121.0131	1.657	14	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.6773	0.739	4	120.6773	0.546	4	121.0131	1.657	14	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,6a]N[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	120.7630	0.233	2	120.7630	0.054	2	120.7630	0.054	2	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(B[5]C[5]2)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(B[5]C[5]2){2|Si<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2{2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.3540	0.767	2	120.3540	0.588	2	120.3540	0.588	2	120.8318	1.258	28	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]B[5])(B[5]C[5,6a]2)(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]B[5])(B[5]C[5,6a]2)(C[6a]C[6a]F){1|O<3>,2|F<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){1|B<4>,3|F<1>,6|C<3>}	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F){2|C<4>,2|F<1>,7|C<3>}	127.2100	0.000	1	127.2100	0.000	1	127.2100	0.000	1	127.2100	0.000	1	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.4015	3.973	8	122.4015	15.784	8	122.4015	15.784	8	122.4015	15.784	8	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]B[5])(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]2H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,6a]B[5])(C[6a]C[6a]C)2{1|C<4>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	121.2180	1.581	2	121.2180	2.500	2	121.2180	2.500	2	121.4503	1.225	6	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]C[5])(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|C<4>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	120.7165	0.064	2	120.7165	0.004	2	120.7165	0.004	2	121.4503	1.225	6	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(B[5]C[5]2)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)2(B[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){2|C<3>,3|C<4>}	122.4165	0.753	2	122.4165	0.567	2	122.4165	0.567	2	121.4503	1.225	6	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5]C[5]O[5])(C[6a]C[6a]F)2	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	C[6a](B[5]C[5]O[5])(C[6a]C[6a]F)2{1|C<3>,2|C<4>,2|F<1>,2|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	123.0960	1.256	2	123.0960	1.577	2	123.0960	1.577	2	123.0960	1.577	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]N[5,5a]C[5,6])(C[6a]C[6a]2)2	B[5](N[5,5a]N[5,5a,6]C[5a])(C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[5]N[5,5a]C[5,6])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,3|H<1>,7|C<3>}	B[5](N[5,5a]N[5,5a,6]C[5a])(C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2){1|B<3>,1|O<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	119.7380	4.442	2	119.7380	19.732	2	119.7380	19.732	2	119.7380	19.732	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]C[5,6a]P[5])(C[6a]C[6a]C)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]C[5,6a]P[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	120.9320	1.648	2	120.9320	2.714	2	120.9320	2.714	2	122.0093	1.285	6	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(B[5]C[5]2)	B[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)2(B[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){2|C<3>,3|C<4>}	122.3355	0.217	2	122.3355	0.047	2	122.5480	0.077	4	122.0093	1.285	6	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(B[5]C[5]2)	B[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]P)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)2(B[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]P){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){2|C<3>,3|C<4>}	122.7605	0.043	2	122.7605	0.002	2	122.5480	0.077	4	122.0093	1.285	6	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:2:	3:3:3:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6]N[5])(C[6a]C[6a]2)2	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[5]C[5,6]N[5])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]){1|B<3>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	121.8725	1.582	2	121.8725	2.502	2	121.8725	2.502	2	121.8725	2.502	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[4,5]N[5])(C[6a]C[6a]H)2	B[5](C[4,5]C[4,5]C[6a]C[4])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[4,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	B[5](C[4,5]C[4,5]C[6a]C[4])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3330	0.202	2	121.3330	0.041	2	121.3330	0.041	2	121.7225	9.492	14	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[4,5]N[5])(C[6a]C[6a]H)2	B[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[4,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	B[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|S<1>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.7308	4.461	4	121.7308	19.904	4	121.7308	19.904	4	121.7225	9.492	14	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	B[5](C[5,5,6]C[5,5,6]2C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	B[5](C[5,5,6]C[5,5,6]2C)(C[6a]C[6a]2)(C[5]C[5]C){1|B<3>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.9600	2.587	2	121.9600	6.690	2	121.9600	6.690	2	121.7225	9.492	14	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8085	3.525	2	121.8085	12.425	2	121.8085	12.425	2	121.7225	9.492	14	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	B[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5]N[5,6]N[5])(C[6a]C[6a]H)2	B[5](N[5,6]B[5,6]N[6]Li)(C[6a]C[6a]2)(N[5]N[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](B[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Li<5>,1|B<5>,1|C<3>,1|C<4>,2|H<1>,2|N<4>}	B[5](N[5,6]B[5,6]N[6]Li)(C[6a]C[6a]2)(N[5]N[5]C){1|Li<5>,1|B<5>,1|N<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	121.8060	3.042	2	121.8060	9.254	2	121.8060	9.254	2	121.7225	9.492	14	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]C[5]2)	B[5](C[5]C[5]Si2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2){2|Si<4>,1|C<2>,2|H<1>,3|C<3>}	B[5](C[5]C[5]Si2)(C[6a]C[6a]2)(C[5]C[5]C){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.6885	5.901	2	121.6885	34.820	2	121.6885	34.820	2	121.7225	9.492	14	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	B[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6]N[5])(C[6a]C[6a]2)2	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[5]C[5,6]N[5])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,6|C<3>}	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H){1|B<3>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	120.8820	2.865	4	120.8820	8.207	4	120.8820	8.207	4	120.8820	8.207	4	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:B[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]B[5]P[5])(C[6a]C[6a]C)2	B[5](P[5]C[6a]2C[5])(B[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]B[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	B[5](P[5]C[6a]2C[5])(B[5]C[6a]P[5])(C[6a]C[6a]2){10|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	121.7190	1.582	8	121.7190	2.502	8	121.7190	2.502	8	121.7190	2.502	8	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2)	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]BH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2){1|B<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]BH){1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<3>,2|C<4>,2|F<1>}	122.3275	0.753	2	122.3275	0.567	2	122.3275	0.567	2	122.3275	0.567	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	B[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5]B[5]C[5])(C[6a]C[6a]C)2	B[5](B[5]C[6a]N[5]I)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	C[6a](B[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,1|N<4>,2|C<3>,4|H<1>}	B[5](B[5]C[6a]N[5]I)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,3|C<4>}	122.5120	0.236	2	122.5120	0.056	2	122.5120	0.056	2	122.5120	0.056	2	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2)	B[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2){2|F<1>,2|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<3>,2|C<4>,2|F<1>}	122.6610	1.984	2	122.6610	3.937	2	122.6610	3.937	2	121.6077	2.155	12	121.1979	6.627	547	121.2572	6.818	572
643	2	643	0:SP2_SP2_SP2	C[6a]	B[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(B[5]C[5]2)	B[5](C[5]C[6a]C[5]Si)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2){1|Si<4>,3|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5]Si)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.3971	1.379	10	121.3971	1.900	10	121.3971	1.900	10	121.6077	2.155	12	121.1979	6.627	547	121.2572	6.818	572