933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6,6a]	3:3:	3:2:3:	4:3:2:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:O[6a]-2:	O[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6,6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a])	O[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	114.9830	0.520	4	114.9830	0.270	4	114.9830	0.270	4	114.9830	0.270	4	114.9830	0.270	4	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:O[6a]-2:O[5]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(O[5]C[5,5,6])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(O[5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[5,6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-3:	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	114.8230	0.000	1	114.9525	0.034	2	114.9525	0.034	2	114.9525	0.034	2	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[5,6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-3:	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	115.0820	0.000	1	114.9525	0.034	2	114.9525	0.034	2	114.9525	0.034	2	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[5,6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:O[6a]-2:C[5]-4:	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC)	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC){1|O<1>,3|C<3>}	115.4190	0.000	1	115.4190	0.000	1	115.4190	0.000	1	115.4190	0.000	1	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a,6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:C[5,6]-4:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6]){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a]){2|O<1>,3|C<3>,3|C<4>,4|H<1>}	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	116.6415	0.221	10	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.7229	0.485	8	116.7229	0.235	8	116.6554	0.246	9	116.6415	0.221	10	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a]){1|O<1>,8|C<3>}	116.1160	0.000	1	116.1160	0.000	1	116.6554	0.246	9	116.6415	0.221	10	116.2293	0.592	15	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){5|C<3>}	118.0280	0.000	1	118.0280	0.000	1	117.7150	2.189	3	116.5955	6.472	4	116.1438	4.432	6	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|H<1>,4|C<3>}	119.0130	0.000	1	119.0130	0.000	1	117.7150	2.189	3	116.5955	6.472	4	116.1438	4.432	6	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|O<1>,4|C<3>}	116.1040	0.000	1	116.1040	0.000	1	117.7150	2.189	3	116.5955	6.472	4	116.1438	4.432	6	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O[5a]-2:	O[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a])	O[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a]){1|I<1>,1|O<1>,3|C<3>}	113.2370	0.000	1	113.2370	0.000	1	113.2370	0.000	1	116.5955	6.472	4	116.1438	4.432	6	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:O[6a]-2:C[5a]-3:	O[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[6a]C[6a,6a])(C[5a]C[5a]C)	O[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[5a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[6a]C[6a,6a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>}	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	116.1438	4.432	6	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(O[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(O[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,4|C<3>}	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	116.1438	4.432	6	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	2:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	O[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O){1|C<2>,1|C<4>,3|C<3>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O){3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	119.2980	0.000	1	119.2980	0.000	1	119.2250	0.011	2	119.2250	0.011	2	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	2:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	O[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]H)(O){3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	119.1520	0.000	1	119.1520	0.000	1	119.2250	0.011	2	119.2250	0.011	2	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	2:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	120.3120	0.000	1	120.3120	0.000	1	119.1724	0.552	5	119.1724	0.552	5	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	2:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>}	118.5880	0.113	2	118.5880	0.013	2	119.1724	0.552	5	119.1724	0.552	5	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	2:3:1:	3:4:2:	C[5,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	119.1870	0.460	2	119.1870	0.211	2	119.1724	0.552	5	119.1724	0.552	5	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	2:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C-3:	C[5,6a]-3:O[6a]-2:C[5]-3:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O)	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O){1|H<1>,2|C<3>,2|O<1>}	116.8445	0.211	2	116.8445	0.045	2	116.8445	0.045	2	116.8445	0.045	2	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	3:2:1:	3:2:3:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O)	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	O[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	3:2:1:	3:4:2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a]){1|O<1>,4|C<3>}	119.4040	0.000	1	119.4040	0.000	1	118.6883	0.397	3	118.6883	0.397	3	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	3:2:1:	3:4:2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){2|C<3>,2|O<1>}	118.4460	0.000	1	118.4460	0.000	1	118.6883	0.397	3	118.6883	0.397	3	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5,6a]	3:3:	3:2:1:	3:4:2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a])	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5,6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a]){2|C<3>,2|O<1>}	118.2150	0.000	1	118.2150	0.000	1	118.6883	0.397	3	118.6883	0.397	3	118.7329	0.916	14	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(O[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.7260	0.279	2	117.7260	0.078	2	117.7260	0.078	2	117.7260	0.078	2	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	118.2350	3.388	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	116.6485	0.100	2	116.6485	0.010	2	116.6485	0.010	2	118.2350	3.388	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	118.2350	3.388	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a]){5|C<3>}	118.5260	0.000	1	118.5260	0.000	1	118.5260	0.000	1	118.5260	0.000	1	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	115.6510	0.000	1	115.6510	0.000	1	115.6510	0.000	1	117.4862	1.574	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	118.2930	0.061	2	118.0980	0.116	3	118.0980	0.116	3	117.4862	1.574	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	117.7080	0.000	1	118.0980	0.116	3	118.0980	0.116	3	117.4862	1.574	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	115.8760	0.165	2	115.8760	0.027	2	115.4113	0.661	3	115.4113	0.661	3	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	2:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	114.4820	0.000	1	114.4820	0.000	1	115.4113	0.661	3	115.4113	0.661	3	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a]){1|O<1>,3|C<3>}	117.5752	0.128	4	117.5752	0.016	4	117.5752	0.016	4	117.5752	0.016	4	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	119.3220	0.000	1	119.1345	0.070	2	119.1345	0.070	2	119.1345	0.070	2	117.5833	2.002	20	117.1892	2.716	59
933	643	727	6:SP2_SP2_SP2	O[6a]	C[6a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	O[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	O[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[5a,6a])(O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	118.9470	0.000	1	119.1345	0.070	2	119.1345	0.070	2	119.1345	0.070	2	117.5833	2.002	20	117.1892	2.716	59
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6,6a]	B[6a]	3:4:	3:3:2:	2:2:2:2:	C[6,6a]-3:B[6a]-4:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:O-2:	O[6a](C[6,6a]C[6,6a]2)(B[6a]O[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]B[6a])	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2	O[6a](C[6,6a]C[6,6a]2)(B[6a]O[6a]OO){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]B[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2{1|O<1>,2|C<3>}	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a,6a]	B[6,6a]	4:3:	3:2:3:	3:2:2:2:	B[6,6a]-4:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]B[6,6a])(C[6a]C[6a]H)	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[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]B[6,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	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>}	117.3677	2.573	3	117.3677	6.622	3	117.3677	6.622	3	117.3677	6.622	3	119.3282	10.627	5	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a,6a]	B[6,6a]	4:3:	3:2:3:	3:2:2:3:	B[6,6a]-4:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]B[6,6a])(C[6a]C[6a]H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]B[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.2690	0.659	2	122.2690	0.434	2	122.2690	0.434	2	122.2690	0.434	2	119.3282	10.627	5	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a,6a]	B[6a,6a]	3:4:	3:2:3:	2:2:2:2:	C[6a,6a]-3:B[6a,6a]-4:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]B[6a,6a])(C[6a]C[6a]H)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]O[6a]3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]B[6a,6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|O<2>}	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	118.3043	1.371	21	118.3043	1.880	21	118.3043	1.880	21	118.3043	1.880	21	118.4557	2.496	25	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a,6a]	B[6a,6a]	4:3:	3:2:3:	4:2:2:3:	B[6a,6a]-4:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(O[6a]B[6a,6a])(C[6a]C[6a]H)	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	O[6a](B[6a,6a]B[6a,6a]O[6a]N[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(O[6a]B[6a,6a])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	119.2505	2.536	4	119.2505	6.430	4	119.2505	6.430	4	119.2505	6.430	4	118.4557	2.496	25	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a,6a]	B[6a]	3:4:	3:3:2:	2:2:3:2:	C[6a,6a]-3:B[6a]-4:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]C[6]O){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	116.4053	1.872	3	116.4053	3.505	3	116.4053	3.505	3	116.4053	3.505	3	116.4053	3.505	3	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6,6a]	4:3:	3:2:1:	3:2:2:2:	B[6,6a]-4:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(O)	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[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	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>}	121.9437	2.533	3	121.9437	6.414	3	121.9437	6.414	3	121.9437	6.414	3	123.6414	5.939	8	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6,6a]	4:3:	3:2:1:	3:2:2:3:	B[6,6a]-4:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	O[6a](B[6,6a]C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	126.4960	0.471	2	126.4960	0.222	2	126.4960	0.222	2	126.4960	0.222	2	123.6414	5.939	8	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6,6a]	4:3:	3:2:1:	3:3:2:2:	B[6,6a]-4:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(O)	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[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	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>}	123.4360	1.314	3	123.4360	1.728	3	123.4360	1.728	3	123.4360	1.728	3	123.6414	5.939	8	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6a,6a]	4:3:	3:2:1:	2:2:2:2:	B[6a,6a]-4:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6a,6a])(O)	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2	O[6a](B[6a,6a]O[6a]3)(C[6a]C[6a,6a]O){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6a,6a])(O){1|H<1>,2|C<3>,3|O<2>}	B[6a,6a](O[6a]C[6a,6a])2(O[6a]C[6a])2{2|O<1>,4|C<3>}	122.3401	1.355	21	122.3401	1.837	21	122.3401	1.837	21	122.3401	1.837	21	122.3401	1.837	21	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6a]	3:4:	3:2:1:	2:2:2:2:	C[6a]-3:B[6a]-4:	C[6,6a]-3:O[6a]-2:O-1:	O[6a]-2:O[6a]-2:O-2:O-2:	O[6a](C[6a]C[6,6a]O)(B[6a]O[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]B[6a])(O)	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2	O[6a](C[6a]C[6,6a]O)(B[6a]O[6a]OO){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]B[6a])(O){1|C<3>,1|H<1>,1|N<3>,3|O<2>}	B[6a](O[6a]C[6,6a])(O[6a]C[6a])(OC)2{1|O<1>,2|C<3>}	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	123.1115	9.501	6	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6a]	4:3:	2:2:4:	3:2:1:1:	B[6a]-4:C[6a]-3:	O[6a]-2:O[6a]-2:P-4:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	O[6a](B[6a]C[6a]Cl2)(C[6a]O[6a]P)	C[6a](O[6a]B[6a])2(PC3)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	O[6a](B[6a]C[6a]Cl2)(C[6a]O[6a]P){1|B<4>,1|C<3>}	C[6a](O[6a]B[6a])2(PC3){4|Cl<1>,1|C<3>}	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	125.3040	0.369	2	125.3040	0.136	2	125.3040	0.136	2	125.3040	0.136	2	123.1115	9.501	6	120.6560	8.625	69
933	643	811	6:SP2_SP2_SP3	O[6a]	C[6a]	B[6a]	4:3:	3:2:1:	2:2:3:2:	B[6a]-4:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6a])(O)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	O[6a](B[6a]O[6a]C[6]O)(C[6a]C[6a,6a]O){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6a])(O){1|H<1>,2|O<2>,3|C<3>}	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.5720	1.994	3	120.5720	3.975	3	120.5720	3.975	3	120.5720	3.975	3	123.1115	9.501	6	120.6560	8.625	69
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[3x6a]-3:O[6a]-2:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a])	C[6a,6a](C[6a,6a]C[6a,6a]2)(O[6a]B[6a,6a])(C[6a]C[6a]H)	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(O[6a]B[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2{6|C<3>}	118.8300	0.333	4	118.8300	0.111	4	118.8728	0.113	10	118.8728	0.113	10	118.8728	0.113	10	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[3x6a]-3:O[6a]-2:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6a,6a])(C[6a]C[6a]H)	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2{6|C<3>}	118.9013	0.366	6	118.9013	0.134	6	118.8728	0.113	10	118.8728	0.113	10	118.8728	0.113	10	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	2:2:2:	C[6a,6a]-3:B[6a]-3:	C[3x6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])2(OB[6a])	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|H<1>,2|O<2>,3|C<3>}	B[6a](O[6a]C[6a,6a])2(OB[6a]){3|C<3>}	119.0630	0.181	4	119.0630	0.033	4	119.3533	0.105	10	119.3533	0.105	10	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	2:2:2:	C[6a,6a]-3:B[6a]-3:	C[3x6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])2(OC)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|H<1>,2|O<2>,3|C<3>}	B[6a](O[6a]C[6a,6a])2(OC){3|C<3>}	119.5468	0.240	6	119.5468	0.057	6	119.3533	0.105	10	119.3533	0.105	10	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:B[6a]-3:	C[3x6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:C[6a]-3:	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|H<1>,1|O<2>,4|C<3>}	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	119.7387	0.297	6	119.8455	0.071	12	119.8455	0.071	12	119.8455	0.071	12	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:B[6a]-3:	C[3x6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:C[6a]-3:	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|H<1>,1|O<2>,4|C<3>}	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.8768	0.205	4	119.8455	0.071	12	119.8455	0.071	12	119.8455	0.071	12	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:B[6a]-3:	C[3x6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:O[6a]-2:C[6a]-3:	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|H<1>,1|O<2>,4|C<3>}	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|O<2>,5|C<3>}	120.1035	0.078	2	119.8455	0.071	12	119.8455	0.071	12	119.8455	0.071	12	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	O[6a]-2:C[6a]-3:O-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]B[6a]){1|O<2>,2|C<3>,3|H<1>}	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	121.3355	0.083	2	121.3355	0.007	2	121.3355	0.007	2	121.3355	0.007	2	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:O[6a]-2:O-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O[6a]B[6a]){1|O<2>,2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a]){1|H<1>,4|C<3>}	121.5085	1.188	4	121.5085	1.412	4	121.4622	0.780	8	121.4622	0.780	8	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	B[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:O[6a]-2:O-2:	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O[6a]B[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O[6a]B[6a]){1|O<2>,2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH){1|H<1>,4|C<3>}	121.4160	0.635	4	121.4160	0.403	4	121.4622	0.780	8	121.4622	0.780	8	120.1890	1.006	32	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a]	B[6,6a]	3:3:	3:2:1:	3:3:2:	B[6,6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:H-1:	C[6,6a,6a]-3:C[6,6a]-3:O[6a]-2:	O[6a](B[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(O[6a]B[6,6a])(H)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a])	O[6a](B[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(O[6a]B[6,6a])(H){3|C<3>}	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a]){1|B<3>,2|H<1>,5|C<3>}	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a]	B[6a]	3:3:	3:2:1:	4:3:2:	B[6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:H-1:	C[6]-4:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(O[6a]B[6a])(H)	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(O[6a]C[6a])	O[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(O[6a]B[6a])(H){1|C<3>,1|C<4>,1|H<1>}	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(O[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	122.7883	1.498	8	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a]	B[6a]	3:3:	3:2:4:	3:2:2:	B[6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:C-4:	C[6a,6a]-3:O[6a]-2:O-2:	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH){1|O<2>,2|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|C<4>,1|H<1>,3|C<3>}	122.5930	0.000	2	122.5930	0.000	2	122.5930	0.000	2	122.5930	0.000	2	122.7883	1.498	8	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a]	B[6a]	3:3:	3:3:2:	3:2:2:	B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:O[6a]-2:O-2:	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(O[6a]B[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]2){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(O[6a]B[6a]){1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|H<1>,4|C<3>}	122.4860	0.242	2	122.4860	0.058	2	122.4860	0.058	2	122.4860	0.058	2	122.7883	1.498	8	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(O[6a]B[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a])	O[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	122.6420	0.000	1	122.6420	0.000	1	122.6420	0.000	1	123.8413	1.080	3	122.7883	1.498	8	120.3118	2.304	51
933	643	927	6:SP2_SP2_SP2	O[6a]	C[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(O[6a]B[6a])	B[6a](C[6a]C[6a]2)2(O[6a]C[6a])	O[6a](B[6a]C[6a]2)(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]2)2(O[6a]B[6a]){2|H<1>,7|C<3>}	B[6a](C[6a]C[6a]2)2(O[6a]C[6a]){2|H<1>,7|C<3>}	124.4410	0.042	2	124.4410	0.002	2	124.4410	0.002	2	123.8413	1.080	3	122.7883	1.498	8	120.3118	2.304	51
933	643	933	6:SP2_SP2_SP2	O[6a]	C[6a,6a]	O[6a]	3:2:	3:3:2:	3:2:	C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[3x6a]-3:O[6a]-2:	N[6a,6a]-3:O[6a]-2:	O[6a](C[6a,6a]C[6a,6a]C[3x6a])(O[6a]N[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)(O[6a]O[6a])	O[6a](N[6a,6a]C[6a,6a]C[3x6a])(O[6a]C[6a,6a])	O[6a](C[6a,6a]C[6a,6a]C[3x6a])(O[6a]N[6a,6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)(O[6a]O[6a]){1|H<1>,1|N<3>,5|C<3>}	O[6a](N[6a,6a]C[6a,6a]C[3x6a])(O[6a]C[6a,6a]){5|C<3>}	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1	117.7260	0.000	1
933	679	927	6:SP2_SP2_SP3	O[6a]	B[5,6a]	B[6a]	4:3:	3:4:2:2:	2:3:2:	B[5,6a]-4:B[6a]-3:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	122.6198	0.229	6	122.6198	0.053	6	122.6198	0.053	6	122.6198	0.053	6	122.7759	0.134	8	122.7759	0.134	8
933	679	927	6:SP2_SP2_SP3	O[6a]	B[5,6a]	B[6a]	4:3:	4:2:2:2:	2:2:2:	B[5,6a]-4:B[6a]-3:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	123.2440	0.305	2	123.2440	0.093	2	123.2440	0.093	2	123.2440	0.093	2	122.7759	0.134	8	122.7759	0.134	8
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6,6a]-4:B[6a]-3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	121.7295	0.994	4	121.7295	0.989	4	122.0495	1.676	16	122.0495	1.676	16	121.9654	1.692	17	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6,6a]-4:B[6a]-3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	122.4003	1.118	6	122.4003	1.249	6	122.0495	1.676	16	122.0495	1.676	16	121.9654	1.692	17	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6,6a]-4:B[6a]-3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	121.9120	1.713	6	121.9120	2.933	6	122.0495	1.676	16	122.0495	1.676	16	121.9654	1.692	17	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6,6a]	B[6a]	4:3:	3:3:2:2:	3:2:2:	B[6,6a]-4:B[6a]-3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:O[6a]-2:O-2:	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O){5|C<3>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	121.9654	1.692	17	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	3:4:	2:2:2:2:	2:3:2:	B[6a]-3:B[6a,6a]-4:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|C<3>}	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|C<4>,3|C<3>,3|O<2>}	122.6860	1.883	4	122.7775	2.015	16	122.7775	2.015	16	122.7775	2.015	16	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	3:4:	2:2:2:2:	2:3:2:	B[6a]-3:B[6a,6a]-4:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|C<3>}	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,3|C<3>,3|O<2>}	122.8080	1.333	12	122.7775	2.015	16	122.7775	2.015	16	122.7775	2.015	16	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:1:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-1:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	B[6a,6a](O[6a]B[6a])4{1|O<1>,5|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O){4|O<2>}	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a])	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	B[6a,6a](O[6a]B[6a])4{6|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	125.2570	0.000	1	125.2570	0.000	1	122.8730	1.146	169	122.8730	1.146	169	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	B[6a,6a](O[6a]B[6a])4{6|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC){4|O<2>}	122.5015	0.739	4	122.5015	0.547	4	122.8730	1.146	169	122.8730	1.146	169	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	B[6a,6a](O[6a]B[6a])4{1|O<1>,5|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){1|O<1>,3|O<2>}	122.0260	0.000	1	122.8676	1.133	164	122.8730	1.146	169	122.8730	1.146	169	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	B[6a,6a](O[6a]B[6a])4{1|O<1>,5|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	122.7350	0.378	2	122.8676	1.133	164	122.8730	1.146	169	122.8730	1.146	169	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	B[6a,6a](O[6a]B[6a])4{6|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	122.8744	1.072	161	122.8676	1.133	164	122.8730	1.146	169	122.8730	1.146	169	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a,6a]	B[6a]	4:3:	2:2:2:2:	2:2:3:	B[6a,6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	B[6a,6a](O[6a]B[6a])4	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	B[6a,6a](O[6a]B[6a])4{2|O<2>,4|N<3>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	121.9125	0.566	2	121.9125	0.321	2	121.9125	0.321	2	121.9125	0.321	2	122.8529	1.204	188	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OB[6a])(OH)	B[6a](O[6a]B[6a])2(OH)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	B[6a](O[6a]B[6a])2(OB[6a])(OH){3|O<2>}	B[6a](O[6a]B[6a])2(OH){4|O<2>}	122.8925	0.186	2	122.8925	0.035	2	123.0203	0.982	6	123.0203	0.982	6	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OC[6a])2	B[6a](O[6a]B[6a])2(OC[6a])	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	B[6a](O[6a]B[6a])2(OC[6a])2{3|O<2>}	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	122.1310	0.976	2	122.1310	0.952	2	123.0203	0.982	6	123.0203	0.982	6	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	2:2:2:2:	2:2:2:	B[6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OH)2	B[6a](O[6a]B[6a])2(OH)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	B[6a](O[6a]B[6a])2(OH)2{3|O<2>}	B[6a](O[6a]B[6a])2(OH){4|O<2>}	124.0375	0.487	2	124.0375	0.237	2	123.0203	0.982	6	123.0203	0.982	6	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	2:2:3:3:	2:2:3:	B[6a]-4:B[6a]-3:	O[6a]-2:O[6a]-2:N[6]-3:N[6]-3:	O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6])	B[6a](O[6a]B[6a])2(N[6]C[6]2)2	B[6a](O[6a]B[6a])2(N[6]C[6]2)	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6]){1|B<3>,6|C<3>}	B[6a](O[6a]B[6a])2(N[6]C[6]2)2{1|O<2>,2|N<3>,4|C<3>,4|H<1>}	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	120.0780	0.868	4	120.0780	0.754	4	120.0780	0.754	4	120.0780	0.754	4	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	3:2:2:2:	3:2:2:	B[6a]-4:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:O-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON){1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|H<1>,2|O<2>,4|C<3>}	121.2095	0.009	2	121.2095	0.000	2	121.2095	0.000	2	121.2095	0.000	2	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	3:2:2:3:	3:2:2:	B[6a]-4:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.1285	0.226	2	121.1285	0.051	2	121.1285	0.051	2	121.1285	0.051	2	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	3:2:2:4:	3:2:2:	B[6a]-4:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	122.0628	0.263	6	122.0628	0.069	6	122.0628	0.069	6	122.0628	0.069	6	121.7629	1.456	22	122.6808	1.396	227
933	811	927	6:SP2_SP2_SP3	O[6a]	B[6a]	B[6a]	4:3:	3:3:2:2:	3:2:2:	B[6a]-4:B[6a]-3:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.6480	0.423	2	121.6480	0.179	2	121.6480	0.179	2	121.6480	0.179	2	121.7629	1.456	22	122.6808	1.396	227
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:1:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-1:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){1|O<1>,3|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O){4|O<2>}	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	118.7690	0.000	1	118.7690	0.000	1	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	118.6817	0.693	6	118.6817	0.480	6	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	118.4010	0.205	2	118.4010	0.042	2	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a])	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	118.8020	0.000	1	118.8020	0.000	1	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC){4|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC){4|O<2>}	117.7630	0.042	2	117.7630	0.002	2	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	119.0165	0.528	84	119.0165	0.278	84	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OC[6a])	B[6a](O[6a]B[6a])2(OC[6a])	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	117.2090	0.000	1	117.2090	0.000	1	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OGe[6])	B[6a](O[6a]B[6a])2(OGe[6])	O[6a](B[6a]O[6a]O)2{1|B<3>}	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	121.9740	0.000	1	121.9740	0.000	1	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OH)	B[6a](O[6a]B[6a])2(OH)	O[6a](B[6a]O[6a]O)2{1|B<4>}	B[6a](O[6a]B[6a])2(OH){4|O<2>}	B[6a](O[6a]B[6a])2(OH){4|O<2>}	118.2620	0.660	2	118.2620	0.436	2	118.9508	0.438	100	118.9508	0.438	100	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:3:	2:2:3:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:N[6]-3:	O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6a]O[6a]N[6])2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	O[6a](B[6a]O[6a]N[6])2{1|B<4>,4|C<3>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	114.7515	0.531	2	114.7515	0.282	2	115.1445	0.671	4	115.1445	0.671	4	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:3:	2:2:3:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:N[6]-3:	O[6a]-2:O[6a]-2:N[6]-3:	O[6a](B[6a]O[6a]N[6])2	B[6a](O[6a]B[6a])2(N[6]C[6]2)	B[6a](O[6a]B[6a])2(N[6]C[6]2)	O[6a](B[6a]O[6a]N[6])2{1|B<4>,4|C<3>}	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	115.5375	1.056	2	115.5375	1.115	2	115.1445	0.671	4	115.1445	0.671	4	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:2:4:	2:2:4:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:C-4:	O[6a]-2:O[6a]-2:C-4:	O[6a](B[6a]O[6a]C)2	B[6a](O[6a]B[6a])2(CC[6a]3)	B[6a](O[6a]B[6a])2(CC[6a]3)	O[6a](B[6a]O[6a]C)2{1|B<3>}	B[6a](O[6a]B[6a])2(CC[6a]3){1|O<2>,2|C<4>}	B[6a](O[6a]B[6a])2(CC[6a]3){1|O<2>,2|C<4>}	121.6395	0.652	4	121.6395	0.426	4	121.6395	0.426	4	121.6395	0.426	4	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:3:2:	2:3:2:	B[6a]-3:B[6a]-3:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a])	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	119.4387	0.746	3	119.4387	0.556	3	119.3980	0.562	11	119.3980	0.562	11	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:3:2:	2:3:2:	B[6a]-3:B[6a]-3:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|C<4>,3|C<3>,3|O<2>}	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|C<4>,3|C<3>,3|O<2>}	120.4505	0.661	2	119.3828	0.643	8	119.3980	0.562	11	119.3980	0.562	11	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	2:3:2:	2:3:2:	B[6a]-3:B[6a]-3:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a]-2:C[6a]-3:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,3|C<3>,3|O<2>}	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,3|C<3>,3|O<2>}	119.0268	0.452	6	119.3828	0.643	8	119.3980	0.562	11	119.3980	0.562	11	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a]-2:O[6a]-2:O-2:	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](O[6a]B[6a])2(OGe[6])	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O){1|B<3>,2|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|C<3>,2|C<4>,3|O<2>}	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	121.3680	0.484	2	121.3680	0.234	2	121.3680	0.234	2	121.3680	0.234	2	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.3443	0.672	3	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|H<1>,1|O<2>,5|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|H<1>,1|O<2>,5|C<3>}	121.4095	0.449	6	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|F<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|F<1>,4|C<3>}	119.9865	0.223	2	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<3>}	120.6827	0.423	19	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.9870	0.325	2	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	118.9543	0.366	3	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	3:2:2:	3:2:2:	B[6a]-3:B[6a]-3:	C[6a]-3:O[6a]-2:O[6a]-2:	C[6a]-3:O[6a]-2:O[6a]-2:	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|H<1>,2|O<2>,4|C<3>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|H<1>,2|O<2>,4|C<3>}	118.4130	0.000	1	120.5746	0.733	36	120.5746	0.733	36	120.5746	0.733	36	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	4:2:2:	4:2:2:	B[6a]-3:B[6a]-3:	C[5]-4:O[6a]-2:O[6a]-2:	C[5]-4:O[6a]-2:O[6a]-2:	O[6a](B[6a]O[6a]C[5])2	B[6a](C[5]C[5]2Fe)(O[6a]B[6a])2	B[6a](C[5]C[5]2Fe)(O[6a]B[6a])2	O[6a](B[6a]O[6a]C[5])2{2|Fe<10>,1|B<3>,4|C<4>}	B[6a](C[5]C[5]2Fe)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<4>}	B[6a](C[5]C[5]2Fe)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<4>}	120.5357	0.739	28	120.5357	0.546	28	120.5357	0.546	28	120.6394	0.603	31	119.5660	1.643	189	119.5660	1.643	189
933	927	927	6:SP2_SP2_SP2	O[6a]	B[6a]	B[6a]	3:3:	4:2:2:	4:2:2:	B[6a]-3:B[6a]-3:	C[6]-4:O[6a]-2:O[6a]-2:	C[6]-4:O[6a]-2:O[6a]-2:	O[6a](B[6a]O[6a]C[6])2	B[6a](C[6]C[6]2H)(O[6a]B[6a])2	B[6a](C[6]C[6]2H)(O[6a]B[6a])2	O[6a](B[6a]O[6a]C[6])2{1|B<3>,2|H<1>,4|C<4>}	B[6a](C[6]C[6]2H)(O[6a]B[6a])2{1|O<2>,2|H<1>,6|C<4>}	B[6a](C[6]C[6]2H)(O[6a]B[6a])2{1|O<2>,2|H<1>,6|C<4>}	121.6067	0.352	3	121.6067	0.124	3	121.6067	0.124	3	120.6394	0.603	31	119.5660	1.643	189	119.5660	1.643	189
934	466	466	0:SPD5_SP3_SP3	Si[6,6]	C[6]	C[6]	4:4:2:2:2:	5:4:1:1:	5:4:1:1:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	123.1130	1.557	2	123.1130	2.424	2	123.1130	2.424	2	123.1130	2.424	2	123.1130	2.424	2	123.1130	2.424	2
934	466	466	6:SPD5_SP3_SP3	Si[6,6]	C[6]	C[6]	4:4:2:2:1:	5:4:1:1:	5:4:1:1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	134.8415	21.575	2	134.8415	465.461	2	134.8415	465.461	2	134.8415	465.461	2	134.8415	465.461	2	134.8415	465.461	2
934	466	622	0:SPD5_SP2_SP3	Si[6,6]	C[6]	O[6]	4:4:2:2:2:	5:4:1:1:	5:3:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:C[6]-3:	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	86.1962	0.743	4	86.1962	0.552	4	86.1962	0.552	4	86.1962	0.552	4	86.1962	0.552	4	86.1962	0.552	4
934	466	622	6:SPD5_SP2_SP3	Si[6,6]	C[6]	O[6]	4:4:2:2:1:	5:4:1:1:	5:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:C[6]-3:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	88.8102	3.280	4	88.8102	10.757	4	88.8102	10.757	4	88.8102	10.757	4	90.0244	6.545	8	90.0244	6.545	8
934	466	622	6:SPD5_SP2_SP3	Si[6,6]	C[6]	O[6]	4:4:2:2:2:	5:4:1:1:	5:3:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:C[6]-3:	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	91.2385	0.765	4	91.2385	0.585	4	91.2385	0.585	4	91.2385	0.585	4	90.0244	6.545	8	90.0244	6.545	8
934	466	790	0:SPD5_SP-NON_SP3	Si[6,6]	C[6]	Cl	4:4:2:2:1:	5:4:1:1:	5:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	Cl(Si[6,6]C[6]2O[6]2)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	Cl(Si[6,6]C[6]2O[6]2)	112.5795	10.787	2	112.5795	116.358	2	112.5795	116.358	2	112.5795	116.358	2	112.5795	116.358	2	112.5795	116.358	2
934	466	893	0:SPD5_SP3_SP3	Si[6,6]	C[6]	O	4:4:2:2:2:	5:4:1:1:	5:5:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	Si[6,6]-5:N[6]-4:H-1:H-1:	Si[6,6]-5:Si[6,6]-5:	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	O(Si[6,6]C[6]2O[6]2)2	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	O(Si[6,6]C[6]2O[6]2)2	118.4320	2.228	4	118.4320	4.964	4	118.4320	4.964	4	118.4320	4.964	4	118.4320	4.964	4	118.4320	4.964	4
934	622	622	0:SPD5_SP2_SP2	Si[3x6]	O[6]	O[6]	3:3:2:2:2:	5:3:	5:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[6,6a]-3:	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])	O[6](Si[3x6]N[5a,6,6]2O[6]O)(C[6,6a]C[6,6a]C[6a])	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	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>}	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>}	88.3401	0.000	1	88.3401	0.000	1	88.3401	0.000	1	88.3401	0.000	1	89.0280	0.946	2	131.8050	2440.286	4
934	622	622	0:SPD5_SP2_SP2	Si[3x6]	O[6]	O[6]	3:3:3:2:2:	5:3:	5:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[6,6a]-3:	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])	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	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>}	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>}	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>}	89.7159	0.000	1	89.7159	0.000	1	89.7159	0.000	1	89.7159	0.000	1	89.0280	0.946	2	131.8050	2440.286	4
934	622	622	0:SPD5_SP2_SP2	Si[6,6]	O[6]	O[6]	4:4:2:2:2:	5:3:	5:3:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	Si[6,6]-5:C[6]-3:	Si[6,6]-5:C[6]-3:	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)	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	174.5820	0.652	2	174.5820	0.425	2	174.5820	0.425	2	174.5820	0.425	2	174.5820	0.425	2	131.8050	2440.286	4
934	622	622	6:SPD5_SP2_SP2	Si[6,6]	O[6]	O[6]	4:4:2:2:1:	5:3:	5:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	Si[6,6]-5:C[6]-3:	Si[6,6]-5:C[6]-3:	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)	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	171.6780	9.061	2	171.6780	82.099	2	171.6780	82.099	2	171.6780	82.099	2	171.6780	82.099	2	171.6780	82.099	2
934	622	643	0:SPD5_SP2_SP2	Si[3x6]	O[6]	C[6a]	3:3:3:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[6a]-3:C[6a]-3:	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])	C[6a](Si[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2	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>}	O[6](Si[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](Si[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	103.4409	17.043	2	103.4409	290.460	2	103.4409	290.460	2	103.4409	290.460	2	103.4409	290.460	2	103.4409	290.460	2
934	622	790	0:SPD5_SP-NON_SP2	Si[6,6]	O[6]	Cl	4:4:2:2:1:	5:3:	5:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	Si[6,6]-5:C[6]-3:	Si[6,6]-5:	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)	Cl(Si[6,6]C[6]2O[6]2)	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	Cl(Si[6,6]C[6]2O[6]2)	94.1610	4.531	2	94.1610	20.525	2	94.1610	20.525	2	94.1610	20.525	2	94.1610	20.525	2	94.1610	20.525	2
934	622	813	0:SPD5_SP2_SP2	Si[3x6]	O[6]	N[5a,6,6]	3:3:2:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	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])	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	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>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	149.3180	39.018	2	149.3180	1522.416	2	149.3180	1522.416	2	149.3180	1522.416	2	149.4785	1036.652	4	149.4785	1036.652	4
934	622	813	0:SPD5_SP2_SP2	Si[3x6]	O[6]	N[5a,6,6]	3:3:3:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	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])	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	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>}	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>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	149.6390	39.843	2	149.6390	1587.436	2	149.6390	1587.436	2	149.6390	1587.436	2	149.4785	1036.652	4	149.4785	1036.652	4
934	622	813	6:SPD5_SP2_SP2	Si[3x6]	O[6]	N[5a,6,6]	3:3:2:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	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])	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	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>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	90.5810	2.549	2	90.5810	6.497	2	90.5810	6.497	2	90.5810	6.497	2	90.3227	3.856	4	90.3227	3.856	4
934	622	813	6:SPD5_SP2_SP2	Si[3x6]	O[6]	N[5a,6,6]	3:3:3:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	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])	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	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>}	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>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	90.0644	2.192	2	90.0644	4.805	2	90.0644	4.805	2	90.0644	4.805	2	90.3227	3.856	4	90.3227	3.856	4
934	622	893	0:SPD5_SP2_SP3	Si[3x6]	O[6]	O	3:3:2:2:2:	5:3:	5:5:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	Si[3x6]-5:C[6,6a]-3:	Si[3x6]-5:Si[3x6]-5:	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])	O(Si[3x6]N[5a,6,6]2O[6]2)2	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	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>}	O(Si[3x6]N[5a,6,6]2O[6]2)2	107.3408	21.839	2	107.3408	476.923	2	107.3408	476.923	2	107.3408	476.923	2	107.3408	476.923	2	97.5798	152.703	6
934	622	893	0:SPD5_SP2_SP3	Si[6,6]	O[6]	O	4:4:2:2:2:	5:3:	5:5:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	Si[6,6]-5:C[6]-3:	Si[6,6]-5:Si[6,6]-5:	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)	O(Si[6,6]C[6]2O[6]2)2	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	O(Si[6,6]C[6]2O[6]2)2	92.6992	0.502	4	92.6992	0.252	4	92.6992	0.252	4	92.6992	0.252	4	92.6992	0.252	4	97.5798	152.703	6
934	643	813	0:SPD5_SP2_SP2	Si[3x6]	C[6a]	N[5a,6,6]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[3x6]-5:C[6a]-3:C[6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Si[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](Si[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	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>}	C[6a](Si[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	106.7482	22.931	2	106.7482	525.836	2	106.7482	525.836	2	106.7482	525.836	2	106.7482	525.836	2	106.7482	525.836	2
934	790	790	0:SPD5_SP-NON_SP-NON	Si[6]	Cl	Cl	3:3:1:1:1:	5:	5:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	Si[6]-5:	Si[6]-5:	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	Cl(Si[6]N[6]2ClH)	Cl(Si[6]N[6]2ClH)	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	Cl(Si[6]N[6]2ClH)	Cl(Si[6]N[6]2ClH)	94.1027	0.000	1	94.1027	0.000	1	94.1027	0.000	1	94.1027	0.000	1	94.1027	0.000	1	94.1027	0.000	1
934	790	856	0:SPD5_SP-NON_SP2	Si[6]	Cl	N[6]	3:3:1:1:1:	5:	5:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	Si[6]-5:	Si[6]-5:C[6a]-3:C[6]-3:	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	Cl(Si[6]N[6]2ClH)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	Cl(Si[6]N[6]2ClH)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	116.6584	37.153	4	116.6584	1380.331	4	116.6584	1380.331	4	116.6584	1380.331	4	116.6584	1380.331	4	116.6584	1380.331	4
934	790	951	0:SPD5_SP-NON_SP-NON	Si[6]	Cl	H	3:3:1:1:1:	5:	5:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	Si[6]-5:	Si[6]-5:	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	Cl(Si[6]N[6]2ClH)	H(Si[6]N[6]2Cl2)	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	Cl(Si[6]N[6]2ClH)	H(Si[6]N[6]2Cl2)	101.2705	22.259	2	101.2705	495.464	2	101.2705	495.464	2	101.2705	495.464	2	101.2705	495.464	2	101.2705	495.464	2
934	813	813	6:SPD5_SP2_SP2	Si[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:2:2:2:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6])	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	88.1781	0.000	1	88.1781	0.000	1	88.1781	0.000	1	88.1781	0.000	1	88.1958	0.001	2	88.1958	0.001	2
934	813	813	6:SPD5_SP2_SP2	Si[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Si[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	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>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	88.2134	0.000	1	88.2134	0.000	1	88.2134	0.000	1	88.2134	0.000	1	88.1958	0.001	2	88.1958	0.001	2
934	813	893	0:SPD5_SP2_SP3	Si[3x6]	N[5a,6,6]	O	3:3:2:2:2:	5:3:3:	5:5:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:O-2:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Si[3x6]-5:Si[3x6]-5:	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6])	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	O(Si[3x6]N[5a,6,6]2O[6]2)2	Si[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(OSi[3x6]){9|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	O(Si[3x6]N[5a,6,6]2O[6]2)2	103.0169	17.553	2	103.0169	308.120	2	103.0169	308.120	2	103.0169	308.120	2	103.0169	308.120	2	103.0169	308.120	2
934	856	856	6:SPD5_SP2_SP2	Si[6]	N[6]	N[6]	3:3:1:1:1:	5:3:3:	5:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	Si[6]-5:C[6a]-3:C[6]-3:	Si[6]-5:C[6a]-3:C[6]-3:	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	90.9487	0.000	1	90.9487	0.000	1	90.9487	0.000	1	90.9487	0.000	1	90.9487	0.000	1	90.9487	0.000	1
934	856	951	0:SPD5_SP-NON_SP2	Si[6]	N[6]	H	3:3:1:1:1:	5:3:3:	5:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	Si[6]-5:C[6a]-3:C[6]-3:	Si[6]-5:	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	H(Si[6]N[6]2Cl2)	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	H(Si[6]N[6]2Cl2)	109.0610	33.084	2	109.0610	1094.558	2	109.0610	1094.558	2	109.0610	1094.558	2	109.0610	1094.558	2	109.0610	1094.558	2
935	490	813	0:SPD6_SP2_SP3	P[4x6]	C	N[5a,6,6]	3:3:3:3:4:2:	6:4:1:1:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	P[4x6]-6:C-4:H-1:H-1:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	90.6106	0.809	4	90.6106	0.654	4	90.6106	0.654	4	90.6106	0.654	4	90.6106	0.654	4	90.6106	0.654	4
935	490	893	0:SPD6_SP3_SP3	P[4x6]	C	O	3:3:3:3:4:2:	6:4:1:1:	6:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	P[4x6]-6:C-4:H-1:H-1:	P[4x6]-6:H-1:	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	O(P[4x6]N[5a,6,6]4C)(H)	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	O(P[4x6]N[5a,6,6]4C)(H)	179.0490	0.000	1	179.0490	0.000	1	179.0490	0.000	1	179.0490	0.000	1	179.0490	0.000	1	179.0490	0.000	1
935	643	813	0:SPD6_SP2_SP2	P[4x6]	C[6a]	N[5a,6,6]	3:3:3:3:3:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O-2:	P[4x6]-6:C[6a]-3:C[6a]-3:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH)	C[6a](P[4x6]N[5a,6,6]4O)(C[6a]C[6a]H)2	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH){14|C<3>,2|H<1>}	C[6a](P[4x6]N[5a,6,6]4O)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	90.5624	0.138	4	90.5624	0.019	4	90.5624	0.019	4	90.5624	0.019	4	90.5624	0.019	4	90.5624	0.019	4
935	643	893	0:SPD6_SP2_SP3	P[4x6]	C[6a]	O	3:3:3:3:3:2:	6:3:3:	6:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O-2:	P[4x6]-6:C[6a]-3:C[6a]-3:	P[4x6]-6:H-1:	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH)	C[6a](P[4x6]N[5a,6,6]4O)(C[6a]C[6a]H)2	O(P[4x6]N[5a,6,6]4C[6a])(H)	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH){14|C<3>,2|H<1>}	C[6a](P[4x6]N[5a,6,6]4O)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	O(P[4x6]N[5a,6,6]4C[6a])(H)	177.6010	0.000	1	177.6010	0.000	1	177.6010	0.000	1	177.6010	0.000	1	177.6010	0.000	1	177.6010	0.000	1
935	813	813	0:SPD6_SP2_SP2	P[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O-2:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH)	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH){14|C<3>,2|H<1>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	178.8620	0.006	2	178.8620	0.000	2	178.8620	0.000	2	178.8620	0.000	2	178.7340	0.114	4	178.7340	0.114	4
935	813	813	0:SPD6_SP2_SP2	P[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:4:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	178.6060	0.525	2	178.6060	0.275	2	178.6060	0.275	2	178.6060	0.275	2	178.7340	0.114	4	178.7340	0.114	4
935	813	813	6:SPD6_SP2_SP2	P[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O-2:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH)	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH){14|C<3>,2|H<1>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	89.9945	0.164	4	89.9945	0.027	4	89.9945	0.027	4	89.9945	0.027	4	89.9945	0.235	8	89.9945	0.235	8
935	813	813	6:SPD6_SP2_SP2	P[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:4:2:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	89.9945	0.722	4	89.9945	0.521	4	89.9945	0.521	4	89.9945	0.521	4	89.9945	0.235	8	89.9945	0.235	8
935	813	893	0:SPD6_SP2_SP3	P[4x6]	N[5a,6,6]	O	3:3:3:3:3:2:	6:3:3:	6:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O-2:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6]-6:H-1:	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH)	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	O(P[4x6]N[5a,6,6]4C[6a])(H)	P[4x6](N[5a,6,6]C[5a,6]2)4(C[6a]C[6a]2)(OH){14|C<3>,2|H<1>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	O(P[4x6]N[5a,6,6]4C[6a])(H)	89.4378	1.838	4	89.4378	3.378	4	89.4378	3.378	4	89.4378	3.378	4	89.4121	2.110	8	89.4121	2.110	8
935	813	893	0:SPD6_SP2_SP3	P[4x6]	N[5a,6,6]	O	3:3:3:3:4:2:	6:3:3:	6:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	P[4x6]-6:H-1:	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	O(P[4x6]N[5a,6,6]4C)(H)	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	O(P[4x6]N[5a,6,6]4C)(H)	89.3864	1.243	4	89.3864	1.545	4	89.3864	1.545	4	89.3864	1.545	4	89.4121	2.110	8	89.4121	2.110	8
936	884	902	3:SPD6_SP2_SPD7	I[4x3]	I[5x3]	C[3]	7:6:6:3:2:2:	6:6:6:3:3:2:1:	6:7:1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[3x3]-6:C[3]-3:C[3]-3:C-2:S-1:	I[4x3]-6:I[5x3]-7:O-1:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O){1|O<1>,5|C<2>}	46.0767	0.966	2	46.0767	0.933	2	46.0767	0.933	2	46.0767	0.933	2	46.0767	0.933	2	46.0767	0.933	2
936	884	936	3:SPD6_SPD6_SPD7	I[3x3]	I[5x3]	I[4x3]	6:6:7:2:2:2:	6:6:6:3:3:2:1:	7:6:6:3:2:2:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[3x3]-6:C[3]-3:C[3]-3:C-2:S-1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	60.7583	0.231	2	60.7583	0.053	2	60.7583	0.053	2	60.7583	0.053	2	60.7583	0.053	2	60.1724	0.236	6
936	884	936	3:SPD6_SPD6_SPD7	I[4x3]	I[5x3]	I[3x3]	7:6:6:3:2:2:	6:6:6:3:3:2:1:	6:6:7:2:2:2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[3x3]-6:C[3]-3:C[3]-3:C-2:S-1:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	59.8047	0.048	2	59.8047	0.002	2	59.8047	0.002	2	59.8047	0.002	2	59.8047	0.002	2	60.1724	0.236	6
936	884	936	3:SPD6_SPD6_SPD7	I[4x3]	I[5x3]	I[4x3]	7:6:6:3:2:2:	6:6:6:3:3:2:1:	7:6:6:3:2:2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[3x3]-6:C[3]-3:C[3]-3:C-2:S-1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	59.9542	0.272	2	59.9542	0.074	2	59.9542	0.074	2	59.9542	0.074	2	59.9542	0.074	2	60.1724	0.236	6
936	884	983	0:SPD6_SP1_SPD7	I[3x3]	I[5x3]	C	6:6:7:2:2:2:	6:6:6:3:3:2:1:	6:1:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[3x3]-6:C[3]-3:C[3]-3:C-2:S-1:	I[3x3]-6:O-1:	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	C(I[3x3]I[4x3]2I[5x3]CC)(O)	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	C(I[3x3]I[4x3]2I[5x3]CC)(O)	116.6747	35.662	3	116.6747	1271.757	3	116.6747	1271.757	3	116.6747	1271.757	3	116.6747	1271.757	3	119.0839	531.561	7
936	884	983	0:SPD6_SP1_SPD7	I[4x3]	I[5x3]	C	7:6:6:3:2:2:	6:6:6:3:3:2:1:	6:1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[3x3]-6:C[3]-3:C[3]-3:C-2:S-1:	I[4x3]-6:O-1:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[5x3](I[4x3]I[3x3]I[4x3]C[3]CC)2(I[3x3]I[4x3]2C3)(C[3]I[4x3]O)2(CO)(S)	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	120.8907	14.322	4	120.8907	205.127	4	120.8907	205.127	4	120.8907	205.127	4	120.8907	205.127	4	119.0839	531.561	7
936	902	936	0:SPD6_SP2_SPD6	I[4x3]	C[3]	I[3x3]	7:6:6:3:2:2:	6:7:1:	6:6:7:2:2:2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[5x3]-7:O-1:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O)	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O){1|O<1>,5|C<2>}	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	82.5719	2.063	2	82.5719	4.256	2	82.5719	4.256	2	82.5719	4.256	2	82.5719	4.256	2	94.2929	185.093	4
936	902	936	0:SPD6_SP2_SPD6	I[4x3]	C[3]	I[4x3]	7:6:6:3:2:2:	6:7:1:	7:6:6:3:2:2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[5x3]-7:O-1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O){1|O<1>,5|C<2>}	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	106.0140	1.220	2	106.0140	1.490	2	106.0140	1.490	2	106.0140	1.490	2	106.0140	1.490	2	94.2929	185.093	4
936	902	983	0:SPD6_SP1_SP2	I[4x3]	C[3]	C	7:6:6:3:2:2:	6:7:1:	6:1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[5x3]-7:O-1:	I[4x3]-6:O-1:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O)	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	C[3](I[4x3]I[3x3]I[4x3]I[5x3]CC)(I[5x3]I[3x3]I[4x3]2C[3]CS)(O){1|O<1>,5|C<2>}	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	95.5591	1.713	4	95.5591	2.934	4	95.5591	2.934	4	95.5591	2.934	4	95.5591	2.934	4	95.5591	2.934	4
936	936	936	3:SPD6_SPD6_SPD6	I[3x3]	I[4x3]	I[4x3]	6:6:7:2:2:2:	7:6:6:3:2:2:	7:6:6:3:2:2:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	60.9787	0.000	1	60.9787	0.000	1	60.9787	0.000	1	60.9787	0.000	1	60.9787	0.000	1	60.0000	0.728	3
936	936	936	3:SPD6_SPD6_SPD6	I[4x3]	I[4x3]	I[3x3]	7:6:6:3:2:2:	7:6:6:3:2:2:	6:6:7:2:2:2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	59.5106	0.137	2	59.5106	0.019	2	59.5106	0.019	2	59.5106	0.019	2	59.5106	0.019	2	60.0000	0.728	3
936	936	983	0:SPD6_SP1_SPD6	I[3x3]	I[4x3]	C	6:6:7:2:2:2:	7:6:6:3:2:2:	6:1:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[3x3]-6:O-1:	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	C(I[3x3]I[4x3]2I[5x3]CC)(O)	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	C(I[3x3]I[4x3]2I[5x3]CC)(O)	115.7746	28.190	6	115.7746	794.669	6	115.7746	794.669	6	115.7746	794.669	6	115.7746	794.669	6	122.9884	816.195	14
936	936	983	0:SPD6_SP1_SPD6	I[4x3]	I[3x3]	C	7:6:6:3:2:2:	6:6:7:2:2:2:	6:1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[4x3]-6:O-1:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	130.8769	38.448	4	130.8769	1478.259	4	130.8769	1478.259	4	130.8769	1478.259	4	130.8769	1478.259	4	122.9884	816.195	14
936	936	983	0:SPD6_SP1_SPD6	I[4x3]	I[4x3]	C	7:6:6:3:2:2:	7:6:6:3:2:2:	6:1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:O-1:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	125.9205	23.144	4	125.9205	535.624	4	125.9205	535.624	4	125.9205	535.624	4	125.9205	535.624	4	122.9884	816.195	14
936	983	983	0:SPD6_SP1_SP1	I[3x3]	C	C	6:6:7:2:2:2:	6:1:	6:1:	I[4x3]-6:I[4x3]-6:I[5x3]-7:C-2:C-2:C-2:	I[3x3]-6:O-1:	I[3x3]-6:O-1:	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3	C(I[3x3]I[4x3]2I[5x3]CC)(O)	C(I[3x3]I[4x3]2I[5x3]CC)(O)	I[3x3](I[4x3]I[4x3]I[5x3]C[3]CC)2(I[5x3]I[4x3]2C[3]2CS)(CO)3{2|O<1>}	C(I[3x3]I[4x3]2I[5x3]CC)(O)	C(I[3x3]I[4x3]2I[5x3]CC)(O)	99.6495	3.798	3	99.6495	14.423	3	99.6495	14.423	3	99.6495	14.423	3	99.6495	14.423	3	99.0850	13.460	5
936	983	983	0:SPD6_SP1_SP1	I[4x3]	C	C	7:6:6:3:2:2:	6:1:	6:1:	I[5x3]-7:I[4x3]-6:I[3x3]-6:C[3]-3:C-2:C-2:	I[4x3]-6:O-1:	I[4x3]-6:O-1:	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	I[4x3](I[5x3]I[3x3]I[4x3]C[3]2CS)(I[4x3]I[3x3]I[5x3]C[3]CC)(I[3x3]I[4x3]I[5x3]C3)(C[3]I[5x3]O)(CO)2{1|O<1>}	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	C(I[4x3]I[3x3]I[4x3]I[5x3]C[3]C)(O)	98.2382	4.754	2	98.2382	22.603	2	98.2382	22.603	2	98.2382	22.603	2	98.2382	22.603	2	99.0850	13.460	5
937	474	474	5:SP1_SP3_SP3	Si[5]	C[5,5]	C[5,5]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5]-4:C[5,5]-4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	Si[5](C[5,5]Si[5]2C[5])2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	Si[5](C[5,5]Si[5]2C[5])2{4|C<3>,4|H<1>,8|C<4>}	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	92.5487	0.000	1	92.5487	0.000	1	92.5487	0.000	1	92.5487	0.000	1	92.5487	0.000	1	93.2113	0.878	2
937	474	474	5:SP1_SP3_SP3	Si[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:Si[5]-2:Si-4:Si-4:	C[5]-4:Si[5]-2:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	Si[5](C[5]C[5]Si2)2{4|H<1>}	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	93.8740	0.000	1	93.8740	0.000	1	93.8740	0.000	1	93.8740	0.000	1	93.8740	0.000	1	93.2113	0.878	2
937	542	542	5:SP1_SP2_SP2	Si[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:Si[5]-2:	C[6a]-3:C[5]-3:Si[5]-2:	Si[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5])	Si[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	87.5215	0.000	1	87.5215	0.000	1	87.5215	0.000	1	87.5215	0.000	1	87.5215	0.000	1	87.5215	0.000	1
937	598	996	5:SP1_SP2_SP3	Si[5,5,6,6]	Si[4,5,5,6,6]	Si[4,4x5,6,6]	4:3:	4:2:2:	2:2:2:2:	Si[4,4x5,6,6]-4:Si[4,5,5,6,6]-3:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[5,5,6,6]-2:Si[5,5,6,6]-2:Si[4,5,5]-2:Si[4,5,5]-2:	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6])	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6]){1|Si<3>}	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2{1|Si<2>}	101.6950	0.000	1	101.6950	0.000	1	101.6950	0.000	1	101.6950	0.000	1	101.6950	0.000	1	101.6950	0.000	1
937	598	996	6:SP1_SP2_SP3	Si[5,5,6,6]	Si[4,5,5,6,6]	Si[4,4x5,6,6]	4:3:	4:2:2:	2:2:2:2:	Si[4,4x5,6,6]-4:Si[4,5,5,6,6]-3:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[5,5,6,6]-2:Si[5,5,6,6]-2:Si[4,5,5]-2:Si[4,5,5]-2:	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6])	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6]){1|Si<3>}	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2{1|Si<2>}	102.3910	0.000	1	102.3910	0.000	1	102.3910	0.000	1	102.3910	0.000	1	102.3910	0.000	1	102.3910	0.000	1
937	818	818	5:SP1_SP2_SP2	Si[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5a]-3:C[5,5]-3:Si[5]-2:	C[5,5]-3:Si[5]-2:H-1:	Si[5](C[5]C[5,5]C[5a])(C[5]C[5,5]H)	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5])	C[5](C[5,5]C[5,5]C[5])(Si[5]C[5])(H)	Si[5](C[5]C[5,5]C[5a])(C[5]C[5,5]H){1|C<3>,1|S<2>,2|C<4>}	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(Si[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	92.8382	0.000	1	92.8382	0.000	1	92.8382	0.000	1	92.8382	0.000	1	92.8382	0.000	1	92.8382	0.000	1
938	634	634	3:SP2_SP3_SP3	Ge[3,3,5,5]	Ge[3x3,4,5,6]	Ge[3,3,4,3x5,6]	4:4:4:	4:4:4:3:	4:3:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,4x5]-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[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])	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[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>}	66.5160	0.000	1	66.5160	0.000	1	66.5160	0.000	1	66.5160	0.000	1	66.5160	0.000	1	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,3,5,5]	Ge[3x3,4,5,6]	Ge[3,3,4,4x5]	4:4:4:	4:4:4:3:	4:4:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3,3,4,4x5]-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[3,3,5,5](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>}	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])	59.5163	0.000	1	59.5163	0.000	1	59.5163	0.000	1	59.5163	0.000	1	59.5163	0.000	1	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,5,5,3x6]	4:5:4:	5:4:3:3:	4:5:3:4:	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[3,4,4,5,3x6]-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[3,4,3x5,6,6](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])	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){1|Si<4>,1|C<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[3,4,5,5,3x6](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>}	59.8738	0.196	2	59.8738	0.038	2	59.8738	0.038	2	59.8738	0.038	2	59.8738	0.038	2	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,4,3x5,6,6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	4:4:4:	4:4:4:3:	4:4:3:3:	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]-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[3,4,3x5,6,6](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])	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]){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[3,3,4,4,5,3x6](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>}	58.5714	0.000	1	58.5714	0.000	1	58.5714	0.000	1	58.5714	0.000	1	58.5714	0.000	1	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	4:4:4:	4:4:3:3:	4:4:3:3:	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[3,4,5,5,3x6]-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[3,4,4,5,3x6](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])	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]){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[3,3,4,4,5,5,6,6](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>}	60.5949	0.000	1	60.5949	0.000	1	60.5949	0.000	1	60.5949	0.000	1	60.5949	0.000	1	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	4:4:4:	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[4x4,4x5,4x6]-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[3,4,4,5,5,6,6](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)	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	60.2620	1.262	4	60.2620	1.593	4	60.2620	1.593	4	60.2620	1.593	4	60.2620	1.593	4	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	4:4:4:	4:4:3:3:	4:4:3:2:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6]-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[3,4,4,5,5,6](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])	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]){1|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[3,4,4,3x5,4x6](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>}	60.6138	0.000	1	60.6138	0.000	1	60.6138	0.000	1	60.6138	0.000	1	60.6138	0.000	1	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	4:4:4:	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]-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](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])	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){1|Ge<3>,4|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[3,3,4,4,4x6](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>}	60.2658	0.000	1	60.2658	0.000	1	60.2658	0.000	1	60.2658	0.000	1	60.2658	0.000	1	60.4875	3.646	14
938	634	634	3:SP2_SP3_SP3	Ge[3]	Ge[3,4]	Ge[3,4]	4:4:4:	4:3:3:4:	4:3:3:4:	Ge[3,4]-4:Ge[3,4]-4:Si-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](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)	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){1|C<3>,1|H<1>}	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>}	59.9756	0.263	2	59.9756	0.069	2	59.9756	0.069	2	59.9756	0.069	2	59.9756	0.069	2	60.4875	3.646	14
938	634	634	5:SP2_SP3_SP3	Ge[3,3,5,5]	Ge[3,3,4,4x5]	Ge[3,3,4,3x5,6]	4:4:4:	4:4:3:3:	4:3:3:3:	Ge[3x3,4,5,6]-4:Ge[3,3,4,4x5]-4:Ge[3,3,4,3x5,6]-4:	Ge[3x3,4,5,6]-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[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[3,3,4,3x5,6](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]){1|Ge<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[3,3,4,3x5,6](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>}	104.3260	0.000	1	104.3260	0.000	1	104.3260	0.000	1	104.3260	0.000	1	104.3260	0.000	1	102.7260	5.120	2
938	634	634	5:SP2_SP3_SP3	Ge[3,4,3x5]	Ge[3,3,4,3x5,6]	Ge[3,4,4,3x5,6]	4:4:3:	4:3:3:3:	4:4:3:2:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-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]-4:Ge[3,3,4,4x5]-4:Ge[3,4,3x5]-3:Ge[4,5,6]-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[3,3,4,3x5,6](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[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[3,4,4,3x5,6](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])	101.1260	0.000	1	101.1260	0.000	1	101.1260	0.000	1	101.1260	0.000	1	101.1260	0.000	1	102.7260	5.120	2
938	634	686	4:SP2_SP3_SPD5	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:5:	5:5:3:3:	3:3:3:3:4:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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)	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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	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]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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	104.4373	0.579	4	104.4373	0.336	4	104.4373	0.336	4	104.4373	0.336	4	104.4373	0.336	4	104.0670	0.937	5
938	634	686	4:SP2_SP3_SPD5	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	4:5:5:	5:5:3:3:	3:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	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[3,3,4,4,5,5,6,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	102.5860	0.000	1	102.5860	0.000	1	102.5860	0.000	1	102.5860	0.000	1	102.5860	0.000	1	104.0670	0.937	5
938	634	686	5:SP2_SP3_SPD5	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	4:5:4:	5:4:3:3:	3:3:3:2:4:	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[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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){1|Si<4>,1|C<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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	105.3110	0.000	1	105.3110	0.000	1	105.3110	0.000	1	105.3110	0.000	1	105.3110	0.000	1	103.7304	2.993	5
938	634	686	5:SP2_SP3_SPD5	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	5:4:5:	5:5:3:3:	3:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	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[3,3,4,4,5,5,6,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.7304	2.993	5
938	634	686	5:SP2_SP3_SPD5	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:5:	5:5:3:3:	3:3:3:3:4:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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)	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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	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]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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	104.5940	0.744	2	104.5940	0.553	2	104.5940	0.553	2	104.5940	0.553	2	104.5940	0.553	2	103.7304	2.993	5
938	634	686	5:SP2_SP3_SPD5	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	4:5:5:	5:5:3:3:	3:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	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[3,3,4,4,5,5,6,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	101.0870	0.000	1	101.0870	0.000	1	101.0870	0.000	1	101.0870	0.000	1	101.0870	0.000	1	103.7304	2.993	5
938	634	686	6:SP2_SP3_SPD5	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	4:5:4:	5:4:3:3:	3:3:3:2:4:	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[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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){1|Si<4>,1|C<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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	98.6343	88.268	10
938	634	686	6:SP2_SP3_SPD5	Ge[3,4,3x5,6,6]	Ge[3,4,5,5,3x6]	Ge[3x4,4x5,4x6]	4:5:4:	4:5:3:4:	3:3:3:2:4:	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]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:Si-4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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){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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	99.3409	0.670	2	99.3409	0.449	2	99.3409	0.449	2	99.3409	0.449	2	99.3409	0.449	2	98.6343	88.268	10
938	634	686	6:SP2_SP3_SPD5	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	5:4:5:	5:4:3:3:	3:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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){1|Si<4>,1|C<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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	104.7455	0.617	2	104.7455	0.381	2	104.7455	0.381	2	104.7455	0.381	2	104.7455	0.381	2	98.6343	88.268	10
938	634	686	6:SP2_SP3_SPD5	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	5:4:5:	5:5:3:3:	3:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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)	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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	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[3,3,4,4,5,5,6,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	102.8100	0.000	1	102.8100	0.000	1	102.8100	0.000	1	102.8100	0.000	1	102.8100	0.000	1	98.6343	88.268	10
938	634	686	6:SP2_SP3_SPD5	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:5:	5:5:3:3:	3:3:3:3:4:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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)	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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	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]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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	103.9675	0.177	2	103.9675	0.032	2	103.9675	0.032	2	103.9675	0.032	2	103.9675	0.032	2	98.6343	88.268	10
938	634	686	6:SP2_SP3_SPD5	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[4,4,4x5,5x6]	5:3:4:	3:3:3:3:	5:3:3:2:2:	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[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[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-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)	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[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(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[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[3,3,4,4,4x6](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[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(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{2|Ge<3>,2|Ge<4>}	81.2557	0.251	2	81.2557	0.063	2	81.2557	0.063	2	81.2557	0.063	2	81.2557	0.063	2	98.6343	88.268	10
938	634	857	5:SP2_SP2_SP3	Ge[3,4x5,6]	Ge[3,3,4,3x5,6]	Ge[4,4x5,6]	4:3:3:	4:3:3:3:	4:3:2:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-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[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-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])	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[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[3,4x5,6](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[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])	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1
938	634	880	0:SP2_SP3_SP3	Ge[3]	Ge[3,4]	Si	4:4:4:	4:3:3:4:	3:4:4:4:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3]-3:C-4:C-4:C-4:	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)	Si(Ge[3]Ge[3,4]2)(CC3)3	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|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){1|C<3>}	Si(Ge[3]Ge[3,4]2)(CC3)3	154.6285	2.078	2	154.6285	4.319	2	149.6137	36.796	4	149.6137	36.796	4	149.6137	36.796	4	146.8981	31.501	12
938	634	880	0:SP2_SP3_SP3	Ge[3]	Ge[3,4]	Si	4:4:4:	4:3:3:4:	3:4:4:4:	Ge[3,4]-4:Ge[3,4]-4:Si-4:	Ge[3,4]-4:Ge[3]-3:C[4]-3:Si-4:	Ge[3]-3:C-4:C-4:C-4:	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)	Si(Ge[3]Ge[3,4]2)(CC3)3	Ge[3](Ge[3,4]Ge[3,4]C[4]Si)2(SiC3){1|C<3>,1|H<1>}	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]Ge[3,4]2)(CC3)3	144.5990	2.341	2	144.5990	5.478	2	149.6137	36.796	4	149.6137	36.796	4	149.6137	36.796	4	146.8981	31.501	12
938	634	880	0:SP2_SP3_SP3	Ge[3]	Ge[3]	Si	4:3:4:	3:3:4:1:	3:4:4:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:Br-1:	Ge[3]-3:C-4:C-4:C-4:	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]2)(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]2)(CC3)3	141.7635	4.543	2	141.7635	20.640	2	141.7635	20.640	2	143.8303	23.281	6	145.5403	27.410	8	146.8981	31.501	12
938	634	880	0:SP2_SP3_SP3	Ge[3]	Ge[3]	Si	4:3:4:	3:3:4:1:	3:4:4:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:Cl-1:	Ge[3]-3:C-4:C-4:C-4:	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]2)(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]2)(CC3)3	147.5605	6.312	2	147.5605	39.846	2	147.5605	39.846	2	143.8303	23.281	6	145.5403	27.410	8	146.8981	31.501	12
938	634	880	0:SP2_SP3_SP3	Ge[3]	Ge[3]	Si	4:3:4:	3:3:4:1:	3:4:4:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:I-1:	Ge[3]-3:C-4:C-4:C-4:	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]2)(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]2)(CC3)3	142.1670	3.743	2	142.1670	14.013	2	142.1670	14.013	2	143.8303	23.281	6	145.5403	27.410	8	146.8981	31.501	12
938	634	880	0:SP2_SP3_SP3	Ge[3]	Ge[3]	Si	4:3:4:	3:3:4:4:	3:4:4:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:Si-4:	Ge[3]-3:C-4:C-4:C-4:	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]2)(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]2)(CC3)3	150.6700	2.301	2	150.6700	5.294	2	150.6700	5.294	2	150.6700	5.294	2	145.5403	27.410	8	146.8981	31.501	12
938	634	907	4:SP2_SP3_SP3	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:2:	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]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Ge<4>}	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	110.1517	13.584	8
938	634	907	4:SP2_SP3_SP3	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:2:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,4,3x5,4x6]-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[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){1|C<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]){2|C<3>}	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Sb<3>,1|C<3>}	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	110.1517	13.584	8
938	634	907	4:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:3:	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[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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])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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4	107.5040	1.835	3	107.5040	3.368	3	107.5040	3.368	3	107.5040	3.368	3	109.9734	13.214	5	110.1517	13.584	8
938	634	907	4:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:3:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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]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[3,3,4,4,5,5,3x6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4{2|Bi<3>}	113.6775	0.619	2	113.6775	0.383	2	113.6775	0.383	2	113.6775	0.383	2	109.9734	13.214	5	110.1517	13.584	8
938	634	907	4:SP2_SP3_SP3	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:2:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-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[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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[3,3,4,4,5,5,6,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){1|Sb<3>,2|C<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]){2|C<3>}	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Sb<3>,1|C<3>}	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	110.1517	13.584	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,3x5,6,6]	Ge[3,4,5,5,3x6]	Ge[3x4,4x5,4x6]	4:4:4:	4:4:4:3:	3:3:3:2:	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]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Ge<4>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.2899	6.154	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:3:	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[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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])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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4	107.0730	1.380	2	107.0730	1.905	2	107.0730	1.905	2	107.0730	1.905	2	109.6880	11.730	4	109.2899	6.154	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:3:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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]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[3,3,4,4,5,5,3x6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4{2|Bi<3>}	114.0250	0.000	1	114.0250	0.000	1	112.3030	5.931	2	112.3030	5.931	2	109.6880	11.730	4	109.2899	6.154	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:3:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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>}	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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4{2|Zn<4>}	110.5810	0.000	1	110.5810	0.000	1	112.3030	5.931	2	112.3030	5.931	2	109.6880	11.730	4	109.2899	6.154	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:2:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){1|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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Ge<4>}	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	109.2899	6.154	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,4,5,5,6]	Ge[3,4,4,3x5,4x6]	Ge[3x4,4x5,4x6]	4:4:4:	4:4:3:2:	3:3:3:2:	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]-4:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Ge<4>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	109.2899	6.154	8
938	634	907	5:SP2_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	4:4:4:	4:4:4:3:	4:3:2:2:	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]-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]-3: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[3,3,4,4,4x6]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])	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[3,4,5,5,3x6](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>}	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])(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{4|Ge<4>}	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	109.2899	6.154	8
938	634	907	6:SP2_SP3_SP3	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:2:	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[3,4,5,5,3x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,3x5,6,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){1|Ge<3>,2|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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Ge<4>}	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	108.7157	6.232	10
938	634	907	6:SP2_SP3_SP3	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:2:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3,4,4,3x5,4x6]-4:Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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]){1|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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Ge<4>}	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.7157	6.232	10
938	634	907	6:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	4:4:4:	4:4:3:3:	3:3:3:3:	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[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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])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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4	106.6190	2.491	3	106.6190	6.205	3	106.6190	6.205	3	106.6190	6.205	3	108.5180	10.434	5	108.7157	6.232	10
938	634	907	6:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:3:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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]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[3,3,4,4,5,5,3x6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4{2|Bi<3>}	112.4340	0.000	1	112.4340	0.000	1	111.3665	2.279	2	111.3665	2.279	2	108.5180	10.434	5	108.7157	6.232	10
938	634	907	6:SP2_SP3_SP3	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[4x4,4x5,4x6]	5:4:4:	5:5:3:3:	3:3:3:3:	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]-5:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)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>}	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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4{2|Zn<4>}	110.2990	0.000	1	110.2990	0.000	1	111.3665	2.279	2	111.3665	2.279	2	108.5180	10.434	5	108.7157	6.232	10
938	634	907	6:SP2_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[4,4,4x5,5x6]	3:4:4:	3:3:3:3:	3:3:2:2:	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[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[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[3,4,5,5,3x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]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	Ge[4,4,4x5,5x6](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[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[3,3,4,4,4x6](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[4,4,4x5,5x6](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<5>}	109.8535	0.383	2	109.8535	0.146	2	109.8535	0.146	2	109.8535	0.146	2	108.5987	4.797	3	108.7157	6.232	10
938	634	907	6:SP2_SP3_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[4,4,4x5,5x6]	4:4:4:	4:4:4:3:	4:3:2:2:	Ge[3,4,5,5,3x6]-4:Ge[3,3,4,4,4x6]-4:Ge[4,4,4x5,5x6]-4:	Ge[3,4,4,5,5,3x6]-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[3,4,5,5,3x6](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])	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[3,4,5,5,3x6](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>}	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>}	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	108.5987	4.797	3	108.7157	6.232	10
938	634	938	3:SP2_SP2_SP3	Ge[3,4,3x5]	Ge[3,3,4,3x5,6]	Ge[3,4x5,6]	4:4:3:	4:3:3:3:	4:3:3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,3,5,5]-3:Ge[3,4,3x5]-3:Ge[3,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	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])	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[3,4,3x5](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[3,4x5,6](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])	60.3082	0.000	1	60.3082	0.000	1	60.3082	0.000	1	60.3082	0.000	1	60.3082	0.000	1	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	3:4:4:	3:3:3:3:	5:3:4:	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[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](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	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){1|Ge<5>}	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>}	61.4804	0.053	2	61.4804	0.003	2	61.4804	0.003	2	61.4804	0.003	2	60.7502	0.717	4	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	Ge[3,4,5,5,3x6]	5:3:4:	3:3:3:3:	3:4:4:	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[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](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	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[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[3,3,4,4,4x6](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>}	60.0200	0.129	2	60.0200	0.017	2	60.0200	0.017	2	60.0200	0.017	2	60.7502	0.717	4	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3,4x5,6]	Ge[3,3,4,3x5,6]	Ge[3,4,3x5]	4:3:3:	4:3:3:3:	4:4:3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-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[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	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])	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])	59.1265	0.000	1	59.1265	0.000	1	59.1265	0.000	1	59.1265	0.000	1	59.1265	0.000	1	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3]	Ge[3]	Ge[3]	4:3:4:	3:3:4:1:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:Br-1:	Ge[3]-4:Ge[3]-3:Si-4:	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)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Br)	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	61.9675	0.027	2	61.9675	0.001	2	61.9675	0.001	2	62.0432	0.015	6	62.3092	0.267	8	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3]	Ge[3]	Ge[3]	4:3:4:	3:3:4:1:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:Cl-1:	Ge[3]-4:Ge[3]-3:Si-4:	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)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(Cl)	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	62.0742	0.215	2	62.0742	0.046	2	62.0742	0.046	2	62.0432	0.015	6	62.3092	0.267	8	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3]	Ge[3]	Ge[3]	4:3:4:	3:3:4:1:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:I-1:	Ge[3]-4:Ge[3]-3:Si-4:	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)	Ge[3](Ge[3]Ge[3]Si)2(SiC3)(I)	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	62.0879	0.115	2	62.0879	0.013	2	62.0879	0.013	2	62.0432	0.015	6	62.3092	0.267	8	61.4935	1.428	14
938	634	938	3:SP2_SP2_SP3	Ge[3]	Ge[3]	Ge[3]	4:3:4:	3:3:4:4:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:Ge[3]-3:Si-4:Si-4:	Ge[3]-4:Ge[3]-3:Si-4:	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)	Ge[3](Ge[3]Ge[3]Si)2(SiSi3)(SiC3)	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	63.1073	0.310	2	63.1073	0.096	2	63.1073	0.096	2	63.1073	0.096	2	62.3092	0.267	8	61.4935	1.428	14
938	634	938	5:SP2_SP2_SP3	Ge[3,4,3x5]	Ge[3,4,4,3x5,6]	Ge[3,4x5,6]	4:4:3:	4:4:3:2:	4:3:3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4: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[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	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[3,4x5,6](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[3,4,3x5](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[3,4x5,6](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])	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1
938	634	982	3:SP2_SP3_SPD5	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	5:4:5:	5:4:3:3:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-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[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3: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)	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[3,3,4,4,5,5,6,6](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[3,4,4,5,3x6](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[3,3,4,4,5,3x6](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[3,3,4,4,5,5,6,6](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>}	59.9368	0.039	2	59.9368	0.002	2	59.9368	0.002	2	59.9368	0.002	2	59.9368	0.002	2	60.1150	1.312	15
938	634	982	3:SP2_SP3_SPD5	Ge[3,4,4,5,3x6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,3,4,4,5,3x6]	5:4:5:	5:5:3:3:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-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[3,4,4,5,3x6](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[3,3,4,4,5,5,6,6](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[3,4,4,5,3x6](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[3,3,4,4,5,5,6,6](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>}	59.1055	0.024	2	59.1055	0.001	2	59.1055	0.001	2	59.1055	0.001	2	59.1055	0.001	2	60.1150	1.312	15
938	634	982	3:SP2_SP3_SPD5	Ge[3,4,4,5,5,6,6]	Ge[3,3,4,4,5,5,3x6]	Ge[3,3,4,4,5,5,3x6]	5:4:5:	5:5:3:3:	4:4:3:3:4:	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]-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[3,4,4,5,5,6,6](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	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[3,4,4,5,5,6,6](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]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>}	61.0465	0.267	8	61.0465	0.071	8	61.0465	0.071	8	61.0465	0.071	8	61.0465	0.071	8	60.1150	1.312	15
938	634	982	3:SP2_SP3_SPD5	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	4:5:5:	5:5:3:3:	4:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-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[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2: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)	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[3,4,4,3x5,4x6](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[3,4,4,5,5,6](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[3,3,4,4,5,5,6,6](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[3,4,4,3x5,4x6](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>}	58.6301	0.000	1	58.6301	0.000	1	58.3283	0.182	2	58.3283	0.182	2	58.4228	0.118	3	60.1150	1.312	15
938	634	982	3:SP2_SP3_SPD5	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	4:5:5:	5:5:3:3:	4:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-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[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2: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)	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[3,4,4,3x5,4x6](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[3,4,4,5,5,6](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[3,3,4,4,5,5,6,6](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[3,4,4,3x5,4x6](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>}	58.0265	0.000	1	58.0265	0.000	1	58.3283	0.182	2	58.3283	0.182	2	58.4228	0.118	3	60.1150	1.312	15
938	634	982	3:SP2_SP3_SPD5	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	5:4:4:	5:5:3:3:	4:3:3:2:3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,4,3x5,4x6]-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[3,3,4,4,5,5,6,6]-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[3,4,4,5,5,6](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[3,3,4,4,5,5,6,6](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[3,4,4,3x5,4x6](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[3,4,4,5,5,6](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[3,3,4,4,5,5,6,6](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[3,4,4,3x5,4x6](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>}	58.6118	0.000	1	58.6118	0.000	1	58.6118	0.000	1	58.6118	0.000	1	58.4228	0.118	3	60.1150	1.312	15
938	686	938	5:SP2_SP2_SPD5	Ge[3,4,3x5,6,6]	Ge[3x4,4x5,4x6]	Ge[3,4,5,5,3x6]	5:5:3:	3:3:3:2:4:	5:5:3:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-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]Si)(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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	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]Si)(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]Si)(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]Si)(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]){1|Si<4>}	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){1|Si<4>}	102.8550	0.943	2	102.8550	0.890	2	102.8550	0.890	2	102.8550	0.890	2	102.8550	0.890	2	102.6706	2.221	10
938	686	938	5:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	5:3:4:	5:3:3:2:2:	3:4:4:	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[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	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](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[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(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[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[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[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(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{2|Ge<3>,2|Ge<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){1|Ge<5>}	100.1043	0.377	2	100.1043	0.142	2	100.1043	0.142	2	100.1043	0.142	2	102.6245	2.716	8	102.6706	2.221	10
938	686	938	5:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	5:3:5:	3:3:2:2:4:	5:3:5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[4,4,4x5,5x6](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(SiSi3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[4,4,4x5,5x6](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(SiSi3){2|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	103.4645	0.622	6	103.4645	0.387	6	103.4645	0.387	6	103.4645	0.387	6	102.6245	2.716	8	102.6706	2.221	10
938	686	938	6:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	5:3:5:	3:3:2:2:4:	5:3:5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[4,4,4x5,5x6](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(SiSi3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[4,4,4x5,5x6](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(SiSi3){2|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	103.7740	3.308	2	103.7740	10.942	2	103.7740	10.942	2	103.7740	10.942	2	103.7740	10.942	2	103.7740	10.942	2
938	686	982	4:SP2_SPD5_SPD5	Ge[3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	Ge[3,3,4,4,5,3x6]	5:4:5:	3:3:3:2:4:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	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[3,4,4,5,3x6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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])(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[3,4,4,5,3x6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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])(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>}	88.9042	0.000	1	88.9042	0.000	1	88.9042	0.000	1	88.9042	0.000	1	88.9042	0.000	1	94.6266	9.683	6
938	686	982	4:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6,6]	Ge[4x4,4x5,4x6]	Ge[3,3,4,4,5,5,3x6]	5:4:5:	3:3:3:3:4:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[3,4,4,5,5,6,6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(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[3,4,4,5,5,6,6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(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>}	96.8832	0.419	2	96.8832	0.176	2	96.8832	0.176	2	96.8832	0.176	2	96.8832	0.176	2	94.6266	9.683	6
938	686	982	4:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,3,4,4,5,5,6,6]	5:5:5:	3:3:3:2:4:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,5,6](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]Si)(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)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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[3,4,4,5,5,6](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]Si)(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)(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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|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>}	96.3780	0.000	1	96.3780	0.000	1	96.3780	0.000	1	96.3780	0.000	1	96.3780	0.000	1	94.6266	9.683	6
938	686	982	4:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,4,4,3x5,4x6]	4:5:5:	3:3:3:2:4:	4:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,5,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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[3,4,4,5,5,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){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>}	95.3786	0.000	1	95.3786	0.000	1	95.3786	0.000	1	95.3786	0.000	1	95.3786	0.000	1	94.6266	9.683	6
938	686	982	4:SP2_SPD5_SPD5	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,3,4,4,4x6]	5:3:5:	3:3:2:2:4:	3:3:3:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-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:Si-4:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[4,4,4x5,5x6](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(SiSi3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4(SiC[6a]2C)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[4,4,4x5,5x6](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(SiSi3){2|Si<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(SiC[6a]2C){2|Ge<2>,2|Si<4>}	93.3324	0.000	1	93.3324	0.000	1	93.3324	0.000	1	93.3324	0.000	1	93.3324	0.000	1	94.6266	9.683	6
938	686	982	5:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6,6]	Ge[4x4,4x5,4x6]	Ge[3,3,4,4,5,5,3x6]	5:4:5:	3:3:3:3:4:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[3,4,4,5,5,6,6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(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[3,4,4,5,5,6,6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(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>}	94.3430	0.447	2	94.3430	0.200	2	94.3430	0.200	2	94.3430	0.200	2	94.3430	0.200	2	95.5369	2.994	5
938	686	982	5:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,3,4,4,5,5,6,6]	5:5:5:	3:3:3:2:4:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,5,6](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]Si)(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)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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[3,4,4,5,5,6](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]Si)(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)(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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|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>}	96.5556	0.000	1	96.5556	0.000	1	96.5556	0.000	1	96.5556	0.000	1	96.5556	0.000	1	95.5369	2.994	5
938	686	982	5:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,4,4,3x5,4x6]	4:5:5:	3:3:3:2:4:	4:3:3:2:4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,5,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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[3,4,4,5,5,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){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>}	94.3576	0.000	1	94.3576	0.000	1	94.3576	0.000	1	94.3576	0.000	1	96.2215	6.948	2	95.5369	2.994	5
938	686	982	5:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,4,4,3x5,4x6]	5:5:5:	3:3:3:2:4:	5:4:3:2:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,5,6](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]Si)(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)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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]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[3,4,4,5,5,6](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]Si)(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)(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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|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>}	98.0854	0.000	1	98.0854	0.000	1	98.0854	0.000	1	98.0854	0.000	1	96.2215	6.948	2	95.5369	2.994	5
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,3x5,6,6]	Ge[3x4,4x5,4x6]	Ge[3,3,4,4,5,3x6]	5:5:3:	3:3:3:2:4:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	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[3,4,3x5,6,6](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]Si)(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])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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])(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[3,4,3x5,6,6](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]Si)(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]){1|Si<4>}	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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])(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>}	91.4775	3.170	2	91.4775	10.051	2	91.4775	10.051	2	91.4775	10.051	2	91.4775	10.051	2	92.1119	24.623	17
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	Ge[3,3,4,4,5,3x6]	5:4:5:	3:3:3:2:4:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	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[3,4,4,5,3x6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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])(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[3,4,4,5,3x6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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])(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>}	94.0468	0.000	1	94.0468	0.000	1	94.0468	0.000	1	94.0468	0.000	1	94.0468	0.000	1	92.1119	24.623	17
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,4,5,3x6]	Ge[3x4,4x5,4x6]	Ge[3,3,4,4,5,5,6,6]	5:4:5:	3:3:3:2:4:	4:5:3:3:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,3x6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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[3,4,4,5,3x6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|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>}	99.3903	0.036	2	99.3903	0.001	2	99.3903	0.001	2	99.3903	0.001	2	99.3903	0.001	2	92.1119	24.623	17
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6,6]	Ge[4x4,4x5,4x6]	Ge[3,3,4,4,5,5,3x6]	5:4:5:	3:3:3:3:4:	4:4:3:3:4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3: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[3,4,4,5,5,6,6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(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[3,4,4,5,5,6,6](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[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(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>}	94.9995	1.423	4	94.9995	2.025	4	94.9995	2.025	4	94.9995	2.025	4	94.9995	2.025	4	92.1119	24.623	17
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,4,4,3x5,4x6]	5:5:5:	3:3:3:2:4:	5:4:3:2:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2: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[3,4,4,5,5,6](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]Si)(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)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(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]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[3,4,4,5,5,6](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]Si)(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)(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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|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>}	97.1930	0.000	1	97.1930	0.000	1	97.1930	0.000	1	97.1930	0.000	1	97.1930	0.000	1	92.1119	24.623	17
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,3,4,4,4x6]	5:3:5:	3:3:2:2:4:	3:3:3:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-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:Si-4:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[4,4,4x5,5x6](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(SiSi3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4(SiC[6a]2C)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[4,4,4x5,5x6](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(SiSi3){2|Si<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(SiC[6a]2C){2|Ge<2>,2|Si<4>}	86.1189	5.097	3	86.1189	25.977	3	87.5612	10.535	7	87.5612	10.535	7	87.5612	10.535	7	92.1119	24.623	17
938	686	982	6:SP2_SPD5_SPD5	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,3,4,4,4x6]	5:3:5:	3:3:2:2:4:	3:3:3:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-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:Si-4:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[4,4,4x5,5x6](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(SiSi3)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4(SiSi3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[4,4,4x5,5x6](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(SiSi3){2|Si<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(SiSi3){2|Ge<2>,2|Si<4>}	88.6429	0.336	4	88.6429	0.113	4	87.5612	10.535	7	87.5612	10.535	7	87.5612	10.535	7	92.1119	24.623	17
938	857	938	5:SP2_SP2_SP2	Ge[3,4x5,6]	Ge[4,4x5,6]	Ge[3,4,3x5]	4:3:3:	4:3:2:	4:4:3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3,3,4,3x5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,4x5,6]-3:	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[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[3,4,3x5](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[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[3,4,3x5](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])	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1
938	880	938	0:SP2_SP2_SP3	Ge[3]	Si	Ge[3]	4:3:4:	3:4:4:4:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	Si(Ge[3]Ge[3]2)(CC3)3	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)	Si(Ge[3]Ge[3]2)(CC3)3	Ge[3](Ge[3]Ge[3]BrSi)(Ge[3]Ge[3]Si)(SiC3)	147.7880	6.563	2	147.7880	43.078	2	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8
938	880	938	0:SP2_SP2_SP3	Ge[3]	Si	Ge[3]	4:3:4:	3:4:4:4:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	Si(Ge[3]Ge[3]2)(CC3)3	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)	Si(Ge[3]Ge[3]2)(CC3)3	Ge[3](Ge[3]Ge[3]ClSi)(Ge[3]Ge[3]Si)(SiC3)	148.6320	4.615	2	148.6320	21.294	2	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8
938	880	938	0:SP2_SP2_SP3	Ge[3]	Si	Ge[3]	4:3:4:	3:4:4:4:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	Si(Ge[3]Ge[3]2)(CC3)3	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)	Si(Ge[3]Ge[3]2)(CC3)3	Ge[3](Ge[3]Ge[3]Si2)(Ge[3]Ge[3]Si)(SiC3)	145.4645	1.180	2	145.4645	1.393	2	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8
938	880	938	0:SP2_SP2_SP3	Ge[3]	Si	Ge[3]	4:3:4:	3:4:4:4:	4:3:4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3]-3:C-4:C-4:C-4:	Ge[3]-4:Ge[3]-3:Si-4:	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	Si(Ge[3]Ge[3]2)(CC3)3	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)	Si(Ge[3]Ge[3]2)(CC3)3	Ge[3](Ge[3]Ge[3]SiI)(Ge[3]Ge[3]Si)(SiC3)	147.9615	6.591	2	147.9615	43.441	2	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8	147.4615	17.234	8
938	907	938	5:SP2_SP2_SP3	Ge[3,4,3x5,6,6]	Ge[3x4,4x5,4x6]	Ge[3,4,5,5,3x6]	5:4:3:	3:3:3:2:	5:5:3:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-4:Ge[3,4,5,5,3x6]-3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,3x6]-5:Ge[3,4,3x5,6,6]-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]Sb)(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[3,4,4,3x5,4x6])	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	Ge[3,4,5,5,3x6](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[6a])(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]Sb)(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]Sb)(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[3,4,4,3x5,4x6]){1|C<3>}	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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Sb<3>,1|C<3>}	Ge[3,4,5,5,3x6](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[6a])(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]Sb)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|C<3>}	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	111.8157	1.751	3
938	907	938	5:SP2_SP2_SP3	Ge[3,4,5,5,3x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	3:4:4:	3:3:2:2:	5:3:4:	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[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	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](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[4,4,4x5,5x6](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[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){1|Ge<5>}	Ge[4,4,4x5,5x6](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<5>}	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>}	111.1685	0.995	2	111.1685	0.990	2	111.1685	0.990	2	111.1685	0.990	2	111.1685	0.990	2	111.8157	1.751	3
938	907	982	6:SP2_SP3_SPD5	Ge[3,4,4,5,5,6]	Ge[3x4,4x5,4x6]	Ge[3,4,4,3x5,4x6]	5:4:4:	3:3:3:2:	4:3:3:2:3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:	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[3,4,4,5,5,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])	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[3,4,4,5,5,6]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[3,4,4,5,5,6](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[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[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6]){1|Sb<3>,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>}	104.8080	0.000	1	104.8080	0.000	1	104.8080	0.000	1	104.8080	0.000	1	104.8080	0.000	1	104.8080	0.000	1
938	938	938	3:SP2_SP2_SP2	Ge[3,5,5]	Ge[3,5,5]	Ge[3,5,5]	3:3:6:	3:3:6:	3:3:6:	Ge[3,5,5]-3:Ge[3,5,5]-3:Ge[5,5,6]-6:	Ge[3,5,5]-3:Ge[3,5,5]-3:Ge[5,5,6]-6:	Ge[3,5,5]-3:Ge[3,5,5]-3:Ge[5,5,6]-6:	Ge[3,5,5](Ge[3,5,5]Ge[3,5,5]Ge[5,5,6])2(Ge[5,5,6]Ge[5,6]2Pd2Sn)	Ge[3,5,5](Ge[3,5,5]Ge[3,5,5]Ge[5,5,6])2(Ge[5,5,6]Ge[5,6]2Pd2Sn)	Ge[3,5,5](Ge[3,5,5]Ge[3,5,5]Ge[5,5,6])2(Ge[5,5,6]Ge[5,6]2Pd2Sn)	Ge[3,5,5](Ge[3,5,5]Ge[3,5,5]Ge[5,5,6])2(Ge[5,5,6]Ge[5,6]2Pd2Sn){1|Ge<3>,1|Pd<6>,2|Sn<4>}	Ge[3,5,5](Ge[3,5,5]Ge[3,5,5]Ge[5,5,6])2(Ge[5,5,6]Ge[5,6]2Pd2Sn){1|Ge<3>,1|Pd<6>,2|Sn<4>}	Ge[3,5,5](Ge[3,5,5]Ge[3,5,5]Ge[5,5,6])2(Ge[5,5,6]Ge[5,6]2Pd2Sn){1|Ge<3>,1|Pd<6>,2|Sn<4>}	59.9709	0.121	2	59.9709	0.015	2	59.9709	0.015	2	59.9709	0.015	2	59.9709	0.015	2	60.0454	0.191	20
938	938	938	3:SP2_SP2_SP2	Ge[3x3]	Ge[3x3]	Ge[3x3]	3:3:3:	3:3:3:	3:3:3:	Ge[3x3]-3:Ge[3x3]-3:Ge[3x3]-3:	Ge[3x3]-3:Ge[3x3]-3:Ge[3x3]-3:	Ge[3x3]-3:Ge[3x3]-3:Ge[3x3]-3:	Ge[3x3](Ge[3x3]Ge[3x3]2)3	Ge[3x3](Ge[3x3]Ge[3x3]2)3	Ge[3x3](Ge[3x3]Ge[3x3]2)3	Ge[3x3](Ge[3x3]Ge[3x3]2)3	Ge[3x3](Ge[3x3]Ge[3x3]2)3	Ge[3x3](Ge[3x3]Ge[3x3]2)3	60.0537	0.460	18	60.0537	0.212	18	60.0537	0.212	18	60.0537	0.212	18	60.0537	0.212	18	60.0454	0.191	20
938	938	982	3:SP2_SP2_SPD5	Ge[3,4,3x5,6,6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	5:5:3:	5:5:3:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-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[3,4,3x5,6,6](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]Si)(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])	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]Si)(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]Si)(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[3,4,4,5,3x6]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[3,4,3x5,6,6](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]Si)(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]){1|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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]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>}	58.3457	0.205	2	58.3457	0.042	2	58.3457	0.042	2	58.3457	0.042	2	58.3457	0.042	2	58.9349	0.294	12
938	938	982	3:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,3,4,4,5,3x6]	5:5:3:	5:5:3:	4:3:3:3:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-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[3,4,5,5,3x6](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]Si)(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]Si)(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]Si)(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])	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[3,4,5,5,3x6](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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){1|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]Si)(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]){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>}	58.7563	0.535	2	58.7563	0.286	2	58.7563	0.286	2	58.7563	0.286	2	58.7563	0.286	2	58.9349	0.294	12
938	938	982	3:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	5:3:5:	5:3:5:	3:3:3:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	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:Si-4:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4(SiC[6a]2C)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<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(SiC[6a]2C){2|Ge<2>,2|Si<4>}	59.3782	0.612	4	59.3782	0.374	4	59.1268	0.264	8	59.1268	0.264	8	59.1268	0.264	8	58.9349	0.294	12
938	938	982	3:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,4x6]	5:3:5:	5:3:5:	3:3:3:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	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:Si-4:	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si)	Ge[3,3,4,4,4x6](Ge[3,4,5,5,3x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6])4(SiSi3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(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]3Si){1|Si<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(SiSi3){2|Ge<2>,2|Si<4>}	58.8755	0.271	4	58.8755	0.073	4	59.1268	0.264	8	59.1268	0.264	8	59.1268	0.264	8	58.9349	0.294	12
938	938	982	5:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,4,4,3x5,4x6]	5:5:3:	5:4:3:	4:3:3:2:3:	Ge[3,4,4,3x5,4x6]-5:Ge[3,3,4,4,5,3x6]-5:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-4:Ge[3,4,5,5,3x6]-3:	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[3,4,5,5,3x6](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[6a])(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]Sb)(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]Sb)(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[3,4,4,3x5,4x6])	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[3,4,4,5,5,6]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[3,4,5,5,3x6](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[6a])(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]Sb)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){2|C<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]Sb)(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[3,4,4,3x5,4x6]){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>}	96.1384	0.000	1	96.1384	0.000	1	96.1384	0.000	1	96.1384	0.000	1	100.0471	11.942	3	100.0471	11.942	3
938	938	982	5:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,4,4,3x5,4x6]	5:5:3:	5:5:3:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	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[3,4,5,5,3x6](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]Si)(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]Si)(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]Si)(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])	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[3,4,5,5,3x6](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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){1|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]Si)(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]){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>}	101.3060	0.000	1	101.3060	0.000	1	102.0015	0.967	2	102.0015	0.967	2	100.0471	11.942	3	100.0471	11.942	3
938	938	982	5:SP2_SP2_SPD5	Ge[3,4,5,5,3x6]	Ge[3,4,3x5,6,6]	Ge[3,4,4,3x5,4x6]	5:5:3:	5:5:3:	4:3:3:2:4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3,4,3x5,6,6]-3:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	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[3,4,5,5,3x6](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]Si)(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]Si)(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]Si)(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])	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[3,4,5,5,3x6](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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3x4,4x5,4x6]){1|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]Si)(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]){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>}	102.6970	0.000	1	102.6970	0.000	1	102.0015	0.967	2	102.0015	0.967	2	100.0471	11.942	3	100.0471	11.942	3
938	982	982	3:SP2_SPD5_SPD5	Ge[3,4,4,5,5,6]	Ge[3,3,4,4,5,5,6,6]	Ge[3,4,4,3x5,4x6]	5:5:5:	4:5:3:3:4:	5:4:3:2:4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5: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[3,3,4,4,5,5,6,6]-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[3,4,4,5,5,6](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]Si)(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)(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])(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[3,4,4,3x5,4x6](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[3,4,4,5,5,6](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]Si)(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)(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[3,3,4,4,5,5,6,6](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>}	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>}	55.4834	0.018	2	55.4834	0.000	2	55.4834	0.000	2	55.4834	0.000	2	55.4834	0.000	2	55.4834	0.000	2
938	982	982	6:SP2_SPD5_SPD5	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:	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[3,4,3x5,6,6]-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[3,4,5,5,3x6](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]Si)(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]Si)(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[3,4,4,5,3x6]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[3,4,5,5,3x6](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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]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>}	84.0073	0.000	1	84.0073	0.000	1	86.7262	14.785	2	86.7262	14.785	2	86.7262	14.785	2	86.7262	14.785	2
938	982	982	6:SP2_SPD5_SPD5	Ge[3,4,5,5,3x6]	Ge[3,3,4,4,5,3x6]	Ge[3,4,4,3x5,4x6]	5:5:3:	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[3,4,3x5,6,6]-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[3,4,5,5,3x6](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]Si)(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]Si)(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[3,4,4,5,3x6]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[3,4,5,5,3x6](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]Si)(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]Si)(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]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>}	89.4451	0.000	1	89.4451	0.000	1	86.7262	14.785	2	86.7262	14.785	2	86.7262	14.785	2	86.7262	14.785	2
939	210	474	0:SP2_SP1_SP3	Ge[5]	Ge	C[5]	4:4:2:	3:3:	3:4:4:4:	C[5]-4:C[5]-4:Ge-2:	Ge[5]-3:Ge[5]-3:	Ge[5]-3:C[5]-4:Si-4:Si-4:	Ge[5](C[5]C[5]Si2)2(GeGe[5])	Ge(Ge[5]C[5]2)2	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	Ge[5](C[5]C[5]Si2)2(GeGe[5]){4|H<1>}	Ge(Ge[5]C[5]2)2	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	126.2155	13.118	4	126.2155	172.088	4	126.2155	172.088	4	126.2155	172.088	4	126.2155	172.088	4	126.2155	172.088	4
939	278	542	0:SP2_SP2_SP2	Ge[5]	Ge[6]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:Ge[6]-3:C[5]-3:	Ge[5]-3:N[6]-3:N[6]-3:	Ge[5]-3:C[6a]-3:C[5]-3:	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C)	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2{3|C<4>,8|C<3>}	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	99.6043	0.000	1	99.6043	0.000	1	99.6043	0.000	1	99.6043	0.000	1	99.6043	0.000	1	99.6043	0.000	1
939	278	818	0:SP2_SP2_SP2	Ge[5]	Ge[6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:Ge[6]-3:C[5]-3:	Ge[5]-3:N[6]-3:N[6]-3:	Ge[5]-3:C[5]-3:C-4:	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C)	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3)	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	Ge[6](Ge[5]C[5]N[5])(N[6]C[6a]C[6])2{3|C<4>,8|C<3>}	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|N<3>}	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1
939	362	542	5:SP2_SP2_SPD6	Ge[5]	C[5x3,6x5,20x6]	N[5]	6:3:1:	6:6:6:6:6:3:	3:3:4:	C[5x3,6x5,20x6]-6:N[5]-3:Cl-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Ge[5]-3:	Ge[5]-3:C[5]-3:C[6]-4:	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Ge[5]N[5]Cl)	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl){1|N<3>,2|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Ge[5]N[5]Cl){1|B<6>,1|C<4>,1|N<3>,5|H<1>}	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|H<1>,6|B<6>}	82.5560	0.000	1	82.5560	0.000	1	82.5560	0.000	1	82.5560	0.000	1	82.5560	0.000	1	82.5560	0.000	1
939	362	790	0:SP2_SP-NON_SPD6	Ge[5]	C[5x3,6x5,20x6]	Cl	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,6x5,20x6]-6:N[5]-3:Cl-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Ge[5]-3:	Ge[5]-3:	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Ge[5]N[5]Cl)	Cl(Ge[5]C[5x3,6x5,20x6]N[5])	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl){1|N<3>,2|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Ge[5]N[5]Cl){1|B<6>,1|C<4>,1|N<3>,5|H<1>}	Cl(Ge[5]C[5x3,6x5,20x6]N[5])	95.1254	0.000	1	95.1254	0.000	1	95.1254	0.000	1	95.1254	0.000	1	95.1254	0.000	1	95.1254	0.000	1
939	474	474	5:SP2_SP3_SP3	Ge[5]	C[5]	C[5]	4:4:2:	3:4:4:4:	3:4:4:4:	C[5]-4:C[5]-4:Ge-2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	Ge[5]-3:C[5]-4:Si-4:Si-4:	Ge[5](C[5]C[5]Si2)2(GeGe[5])	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	Ge[5](C[5]C[5]Si2)2(GeGe[5]){4|H<1>}	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	96.1198	0.213	2	96.1198	0.045	2	96.1198	0.045	2	96.0397	0.042	3	96.0397	0.042	3	96.0397	0.042	3
939	474	474	5:SP2_SP3_SP3	Ge[5]	C[5]	C[5]	4:4:2:	3:4:4:4:	3:4:4:4:	C[5]-4:C[5]-4:Si-2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	Ge[5]-3:C[5]-4:Si-4:Si-4:	Ge[5](C[5]C[5]Si2)2(SiGe[5])	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Ge[5](C[5]C[5]Si2)2(SiGe[5]){4|H<1>}	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	95.8795	0.000	1	95.8795	0.000	1	95.8795	0.000	1	96.0397	0.042	3	96.0397	0.042	3	96.0397	0.042	3
939	474	542	5:SP2_SP2_SP3	Ge[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:N[5]-3:I-1:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	C[5]-3:Ge[5]-3:C[6a]-3:	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	78.7258	0.174	2	78.7258	0.030	2	78.7258	0.030	2	78.7258	0.030	2	78.7258	0.030	2	78.7258	0.030	2
939	474	944	0:SP2_SP-NON_SP3	Ge[5]	C[5,5]	I	4:3:1:	3:3:3:3:	3:	C[5,5]-4:N[5]-3:I-1:	C[6a]-3:N[5,5]-3:Ge[5]-3:N[5]-3:	Ge[5]-3:	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C)	I(Ge[5]C[5,5]N[5])	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(Ge[5]N[5]I)(N[5]C[5]C){4|C<3>,4|H<1>}	I(Ge[5]C[5,5]N[5])	91.9569	0.014	2	91.9569	0.000	2	91.9569	0.000	2	91.9569	0.000	2	91.9569	0.000	2	91.9569	0.000	2
939	474	957	0:SP2_SP1_SP3	Ge[5]	C[5]	Si	4:4:2:	3:4:4:4:	3:3:	C[5]-4:C[5]-4:Si-2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	Ge[5]-3:Ge[5]-3:	Ge[5](C[5]C[5]Si2)2(SiGe[5])	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(Ge[5]C[5]2)2	Ge[5](C[5]C[5]Si2)2(SiGe[5]){4|H<1>}	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(Ge[5]C[5]2)2	126.7105	16.345	2	126.7105	267.152	2	126.7105	267.152	2	126.7105	267.152	2	126.7105	267.152	2	126.7105	267.152	2
939	542	542	0:SP2_SP2_SP2	Ge[5,5]	N[5]	N[5]	4:3:3:	3:4:4:	3:4:4:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3)	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3)	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3){1|Si<4>,3|P<4>,5|C<3>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	113.7570	11.693	2	113.7570	11.693	2	113.7570	11.693	2
939	542	542	0:SP2_SP2_SP2	Ge[5,5]	N[5]	N[5]	4:3:3:	3:4:4:	3:4:4:	Ge[5,5]-4:N[5]-3:N[5]-3:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3)	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3)	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2{2|P<3>,4|C<3>}	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	116.1750	0.000	1	116.1750	0.000	1	116.1750	0.000	1	113.7570	11.693	2	113.7570	11.693	2	113.7570	11.693	2
939	542	542	5:SP2_SP2_SP3	Ge[5,6]	N[5,6,6]	N[5,6]	3:3:3:	4:3:4:	3:3:3:	N[5,6,6]-3:N[5,6]-3:N[6,6]-3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	77.6873	0.000	1	77.6873	0.000	1	77.6873	0.000	1	77.6873	0.000	1	77.6873	0.000	1	77.6873	0.000	1
939	542	606	5:SP2_SP2_SP3	Ge[5,5]	N[5]	Ge[5,5,6]	4:3:3:	3:4:4:	4:3:3:3:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	Ge[5,5]-3:P[5]-4:Si-4:	P[6]-4:C[5,6]-3:Ge[5,5]-3:C[5]-3:	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3)	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P)	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3){1|Si<4>,3|P<4>,5|C<3>}	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P){10|C<3>,1|Ge<2>,2|Si<4>,1|P<4>}	85.8822	0.000	1	85.8822	0.000	1	85.3098	0.655	2	85.3098	0.655	2	85.3098	0.655	2	84.9345	2.053	4
939	542	606	5:SP2_SP2_SP3	Ge[5,5]	N[5]	Ge[5,5,6]	4:3:3:	3:4:4:	4:3:3:3:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	Ge[5,5]-3:P[5]-4:Si-4:	P[6]-4:C[5,6]-3:Ge[5,5]-3:C[5]-3:	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3)	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P)	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P){10|C<3>,1|Ge<2>,2|Si<4>,1|P<4>}	84.7374	0.000	1	84.7374	0.000	1	85.3098	0.655	2	85.3098	0.655	2	85.3098	0.655	2	84.9345	2.053	4
939	542	606	5:SP2_SP2_SP3	Ge[5,5]	N[5]	Ge[5,5]	4:3:3:	3:4:4:	3:3:3:4:	Ge[5,5]-4:N[5]-3:N[5]-3:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5]-3:C[5]-3:C[5]-3:P-4:	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3)	Ge[5,5](Ge[5,5]N[5]2)(C[5]P[5]P)2(PC[6a]2C)	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2{2|P<3>,4|C<3>}	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Ge[5,5](Ge[5,5]N[5]2)(C[5]P[5]P)2(PC[6a]2C){2|Si<4>,4|C<3>}	84.5591	2.223	2	84.5591	4.940	2	84.5591	4.940	2	84.5591	4.940	2	84.5591	4.940	2	84.9345	2.053	4
939	542	643	0:SP2_SP2_SP2	Ge[5]	N[5]	C[6a]	4:3:3:	3:3:3:	3:3:3:	P[5,5]-4:N[5]-3:C[6a]-3:	C[5,5,6]-3:Ge[5]-3:C[6a]-3:	Ge[5]-3:C[6a]-3:C[6a]-3:	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[6a](Ge[5]P[5,5]N[5])(C[6a]C[6a]H)2	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	C[6a](Ge[5]P[5,5]N[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	99.5486	0.000	1	99.5486	0.000	1	99.5486	0.000	1	99.5486	0.000	1	99.5486	0.000	1	99.5486	0.000	1
939	542	727	5:SP2_SP2_SP2	Ge[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:Cl-1:	Ge[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl)	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl)	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl){1|C<4>,1|O<2>,4|C<3>}	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	80.2027	0.267	2	80.2027	0.071	2	80.2027	0.071	2	80.2027	0.071	2	80.5506	0.186	4	80.5506	0.186	4
939	542	727	5:SP2_SP2_SP2	Ge[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	Ge[5]-3:C[5,6a]-3:N[5]-3:	Ge[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5])	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,8|C<3>}	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	80.8985	0.057	2	80.8985	0.003	2	80.8985	0.003	2	80.8985	0.003	2	80.5506	0.186	4	80.5506	0.186	4
939	542	727	5:SP2_SP2_SP3	Ge[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:	4:3:4:	3:3:3:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	Ge[5,5,6]-3:C[5,6,6a]-3:C[6a]-3:	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C){2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|Ge<2>,1|C<3>,3|C<4>,3|H<1>}	85.9736	0.000	1	85.9736	0.000	1	85.9736	0.000	1	85.9736	0.000	1	85.9736	0.000	1	85.9736	0.000	1
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:Cl-1:	Ge[5]-3:C[5]-3:C[6a]-3:	Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl)	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2)	Cl(Ge[5]C[5,6a]N[5])	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl){1|C<4>,1|O<2>,4|C<3>}	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	Cl(Ge[5]C[5,6a]N[5])	93.9012	0.681	2	93.9012	0.463	2	93.9012	0.463	2	93.9012	0.463	2	98.6996	8.593	12	98.6996	8.593	12
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	4:3:1:	3:3:3:	3:	P[5]-4:N[5]-3:Cl-1:	C[6a]-3:Ge[5]-3:C[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl)	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C)	Cl(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl){1|C<4>,7|C<3>}	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C){2|C<4>,5|C<3>}	Cl(Ge[5]N[5]P[5])	95.6390	0.000	1	95.6390	0.000	1	95.6390	0.000	1	95.6390	0.000	1	98.6996	8.593	12	98.6996	8.593	12
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	4:3:1:	4:3:3:	3:	P[5]-4:N[5]-3:Cl-1:	P[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Cl(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Cl<1>,8|C<3>}	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Cl<1>,2|C<4>,8|C<3>}	Cl(Ge[5]N[5]P[5])	98.8098	0.421	2	99.3269	0.891	3	99.3269	0.891	3	100.4624	1.671	8	98.6996	8.593	12	98.6996	8.593	12
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	4:3:1:	4:3:3:	3:	P[5]-4:N[5]-3:Cl-1:	P[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Cl(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Ge<3>,8|C<3>}	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Ge<3>,2|C<4>,8|C<3>}	Cl(Ge[5]N[5]P[5])	100.3610	0.000	1	99.3269	0.891	3	99.3269	0.891	3	100.4624	1.671	8	98.6996	8.593	12	98.6996	8.593	12
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	4:3:1:	4:3:3:	3:	P[5]-4:N[5]-3:Cl-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Cl(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|C<4>,2|H<1>,6|C<3>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,4|C<3>}	Cl(Ge[5]N[5]P[5])	100.3409	0.495	2	100.3409	0.245	2	101.1438	0.931	5	100.4624	1.671	8	98.6996	8.593	12	98.6996	8.593	12
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	4:3:1:	4:3:3:	3:	P[5]-4:N[5]-3:Cl-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Cl(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|H<1>,8|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,8|C<3>}	Cl(Ge[5]N[5]P[5])	101.6790	0.815	3	101.6790	0.665	3	101.1438	0.931	5	100.4624	1.671	8	98.6996	8.593	12	98.6996	8.593	12
939	542	790	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Cl	6:3:1:	3:3:4:	3:	C[5x3,6x5,20x6]-6:N[5]-3:Cl-1:	Ge[5]-3:C[5]-3:C[6]-4:	Ge[5]-3:	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl)	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	Cl(Ge[5]C[5x3,6x5,20x6]N[5])	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl){1|N<3>,2|C<4>,5|B<6>,5|H<1>}	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|H<1>,6|B<6>}	Cl(Ge[5]C[5x3,6x5,20x6]N[5])	97.2547	0.000	1	97.2547	0.000	1	97.2547	0.000	1	97.2547	0.000	1	98.6996	8.593	12	98.6996	8.593	12
939	542	818	5:SP2_SP2_SP2	Ge[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:Ge[6]-3:C[5]-3:	Ge[5]-3:C[6a]-3:C[5]-3:	Ge[5]-3:C[5]-3:C-4:	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C)	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3)	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|N<3>}	84.4530	0.000	1	84.4530	0.000	1	84.4530	0.000	1	84.4530	0.000	1	84.4530	0.000	1	84.4530	0.000	1
939	542	856	0:SP2_SP2_SP2	Ge[5,6]	N[5,6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[5,6,6]-3:N[5,6]-3:N[6,6]-3:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	84.7985	0.000	1	84.7985	0.000	1	84.7985	0.000	1	84.7985	0.000	1	85.5326	1.078	2	85.5326	1.078	2
939	542	856	0:SP2_SP2_SP2	Ge[5,6]	N[5,6]	N[6,6]	4:3:3:	3:3:3:	3:3:3:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	86.2667	0.000	1	86.2667	0.000	1	86.2667	0.000	1	86.2667	0.000	1	85.5326	1.078	2	85.5326	1.078	2
939	542	856	6:SP2_SP2_SP3	Ge[5,6]	N[5,6,6]	N[6,6]	3:3:3:	4:3:4:	3:3:3:	N[5,6,6]-3:N[5,6]-3:N[6,6]-3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	85.9907	0.000	1	85.9907	0.000	1	85.9907	0.000	1	85.9907	0.000	1	85.9907	0.000	1	85.9907	0.000	1
939	542	924	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Br	4:3:1:	4:3:3:	3:	P[5]-4:N[5]-3:Br-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br)	Br(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|C<4>,2|H<1>,6|C<3>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,4|C<3>}	Br(Ge[5]N[5]P[5])	101.4370	0.556	2	101.4370	0.309	2	101.9583	0.970	3	101.9583	0.970	3	101.9583	0.970	3	101.9583	0.970	3
939	542	924	0:SP2_SP-NON_SP2	Ge[5]	N[5]	Br	4:3:1:	4:3:3:	3:	P[5]-4:N[5]-3:Br-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br)	Br(Ge[5]N[5]P[5])	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|H<1>,8|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,8|C<3>}	Br(Ge[5]N[5]P[5])	103.0010	0.000	1	103.0010	0.000	1	101.9583	0.970	3	101.9583	0.970	3	101.9583	0.970	3	101.9583	0.970	3
939	542	939	0:SP2_SP2_SP2	Ge[5]	N[5]	Ge[5]	3:3:3:	3:3:3:	3:3:3:	Ge[5]-3:C[5,6a]-3:N[5]-3:	Ge[5]-3:C[5]-3:C[6a]-3:	Ge[5]-3:C[5,6a]-3:N[5]-3:	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,8|C<3>}	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,8|C<3>}	98.0934	1.572	2	98.0934	2.472	2	98.0934	2.472	2	98.0934	2.472	2	98.0934	2.472	2	98.0934	2.472	2
939	542	944	0:SP2_SP-NON_SP2	Ge[5]	N[5]	I	4:3:1:	3:3:3:	3:	C[5,5]-4:N[5]-3:I-1:	C[5]-3:Ge[5]-3:C[6a]-3:	Ge[5]-3:	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I)	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	I(Ge[5]C[5,5]N[5])	Ge[5](C[5,5]N[5,5]C[6a]N[5])(N[5]C[6a]C[5])(I){8|C<3>}	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	I(Ge[5]C[5,5]N[5])	92.6552	0.223	2	92.6552	0.050	2	92.6552	0.050	2	92.6552	0.050	2	92.6552	0.050	2	92.6552	0.050	2
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5,5]	4:3:3:	3:3:3:	3:3:3:3:	P[5,5]-4:N[5]-3:C[6a]-3:	C[5,5,6]-3:Ge[5]-3:C[6a]-3:	C[5,5,6]-3:Ge[5]-3:N[5]-3:N[5]-3:	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5])(N[5]C[5]C)2	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5])(N[5]C[5]C)2{3|C<3>,3|C<4>,5|H<1>}	84.6915	0.000	1	84.6915	0.000	1	84.6915	0.000	1	84.6915	0.000	1	84.6915	0.000	1	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	3:3:3:	3:3:3:3:	P[5]-4:N[5]-3:Cl-1:	C[6a]-3:Ge[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Ge[5]-3:C[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl)	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(C[5]C[5]C)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl){1|C<4>,7|C<3>}	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C){2|C<4>,5|C<3>}	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(C[5]C[5]C){1|C<4>,4|H<1>,5|C<3>}	80.4901	0.000	1	80.4901	0.000	1	80.4901	0.000	1	80.4901	0.000	1	86.1187	6.373	12	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	4:3:3:	3:3:3:3:	P[5]-4:N[5]-3:Cl-1:	P[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:Ge[5]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Cl<1>,8|C<3>}	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Cl<1>,2|C<4>,8|C<3>}	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl){4|H<1>,7|C<3>}	89.0717	0.345	2	89.0717	0.119	2	89.0717	0.119	2	89.4357	0.457	3	86.1187	6.373	12	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	4:3:3:	3:3:3:3:	P[5]-4:N[5]-3:Cl-1:	P[5]-4:C[6a]-3:Ge[5]-3:	Ge[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Ge<3>,8|C<3>}	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Ge<3>,2|C<4>,8|C<3>}	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|P<4>,4|H<1>,7|C<3>}	90.1638	0.000	1	90.1638	0.000	1	90.1638	0.000	1	89.4357	0.457	3	86.1187	6.373	12	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	4:3:3:	4:3:3:3:	P[5]-4:N[5]-3:Br-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|C<4>,2|H<1>,6|C<3>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,4|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){2|C<4>,4|H<1>,5|C<3>}	86.1185	0.276	2	86.1185	0.076	2	85.7385	0.471	3	85.5784	0.309	8	86.1187	6.373	12	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	4:3:3:	4:3:3:3:	P[5]-4:N[5]-3:Br-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|H<1>,8|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,8|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){4|H<1>,7|C<3>}	84.9784	0.000	1	84.9784	0.000	1	85.7385	0.471	3	85.5784	0.309	8	86.1187	6.373	12	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	4:3:3:	4:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|C<4>,2|H<1>,6|C<3>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,4|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|C<4>,4|H<1>,5|C<3>}	85.9365	0.128	2	85.9365	0.016	2	85.4823	0.274	5	85.5784	0.309	8	86.1187	6.373	12	86.0089	5.999	13
939	542	955	5:SP2_SP2_SP3	Ge[5]	N[5]	P[5]	4:3:1:	4:3:3:	4:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|H<1>,8|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,8|C<3>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){4|H<1>,7|C<3>}	85.1795	0.443	3	85.1795	0.197	3	85.4823	0.274	5	85.5784	0.309	8	86.1187	6.373	12	86.0089	5.999	13
939	542	982	5:SP2_SP2_SPD5	Ge[5]	N[5]	Ge[3,3,5]	5:3:2:	3:3:3:	3:3:3:4:3:	Ge[3,3,5]-5:N[5]-3:C-2:	Ge[5]-3:C[6a]-3:B[5]-3:	N[3]-3:N[3]-3:N[5]-3:B[3,3]-4:Ge[5]-3:	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C)	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C){1|N<3>,7|C<3>}	84.3994	0.712	2	84.3994	0.508	2	84.3994	0.508	2	84.3994	0.508	2	84.3994	0.508	2	84.3994	0.508	2
939	542	983	0:SP2_SP1_SP2	Ge[5]	N[5]	C	5:3:2:	3:3:3:	3:2:	Ge[3,3,5]-5:N[5]-3:C-2:	Ge[5]-3:C[6a]-3:B[5]-3:	Ge[5]-3:N-2:	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	96.0802	0.000	1	96.0802	0.000	1	96.2542	0.061	2	96.2542	0.061	2	96.2542	0.061	2	96.2542	0.061	2
939	542	983	0:SP2_SP1_SP2	Ge[5]	N[5]	C	5:3:2:	3:3:3:	3:2:	Ge[3,3,5]-5:N[5]-3:C-2:	Ge[5]-3:C[6a]-3:B[5]-3:	Ge[5]-3:N-2:	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	96.4282	0.000	1	96.4282	0.000	1	96.2542	0.061	2	96.2542	0.061	2	96.2542	0.061	2	96.2542	0.061	2
939	542	999	5:SP2_SP2_SP3	Ge[5,6]	N[5,6]	N[5,6,6]	4:3:3:	3:3:3:	4:3:4:1:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	77.6334	0.000	1	77.6334	0.000	1	77.6334	0.000	1	77.6334	0.000	1	77.6334	0.000	1	77.6334	0.000	1
939	542	999	5:SP2_SP3_SP3	Ge[5,5,6]	N[5,5]	N[5,5,6]	3:4:3:	4:3:4:	4:3:2:4:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3)	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C){2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3){1|C<4>,1|H<1>,4|C<3>}	69.3356	0.000	1	69.3356	0.000	1	69.3356	0.000	1	69.3356	0.000	1	69.3356	0.000	1	69.3356	0.000	1
939	562	562	5:SP2_SP3_SP3	Ge[5]	Si[5]	Si[5]	4:4:3:	3:4:4:4:	3:4:4:4:	Si[5]-4:Si[5]-4:C[5]-3:	Ge[5]-3:Si[5]-4:Si-4:Si-4:	Ge[5]-3:Si[5]-4:Si-4:Si-4:	Ge[5](Si[5]Si[5]Si2)2(C[5]N[5]2)	Si[5](Ge[5]Si[5]C[5])(Si[5]Si[5]CC)(SiC3)2	Si[5](Ge[5]Si[5]C[5])(Si[5]Si[5]CC)(SiC3)2	Ge[5](Si[5]Si[5]Si2)2(C[5]N[5]2){2|C<3>,6|C<4>}	Si[5](Ge[5]Si[5]C[5])(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<4>,2|N<3>}	Si[5](Ge[5]Si[5]C[5])(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<4>,2|N<3>}	97.3807	0.000	1	97.3807	0.000	1	97.3807	0.000	1	97.3807	0.000	1	100.0388	14.132	2	100.0388	14.132	2
939	562	562	5:SP2_SP3_SP3	Ge[5]	Si[5]	Si[5]	4:4:4:	4:3:4:4:	4:3:4:4:	Si[5]-4:Si[5]-4:P-4:	Si[5]-4:Ge[5]-3:Si-4:Si-4:	Si[5]-4:Ge[5]-3:Si-4:Si-4:	Ge[5](Si[5]Si[5]Si2)2(PC3)	Si[5](Si[5]Si[5]CC)(Ge[5]Si[5]P)(SiC3)2	Si[5](Si[5]Si[5]CC)(Ge[5]Si[5]P)(SiC3)2	Ge[5](Si[5]Si[5]Si2)2(PC3){4|C<4>}	Si[5](Si[5]Si[5]CC)(Ge[5]Si[5]P)(SiC3)2{2|Si<4>,2|C<4>}	Si[5](Si[5]Si[5]CC)(Ge[5]Si[5]P)(SiC3)2{2|Si<4>,2|C<4>}	102.6970	0.000	1	102.6970	0.000	1	102.6970	0.000	1	102.6970	0.000	1	100.0388	14.132	2	100.0388	14.132	2
939	562	818	0:SP2_SP2_SP3	Ge[5]	Si[5]	C[5]	4:4:3:	3:4:4:4:	3:3:3:	Si[5]-4:Si[5]-4:C[5]-3:	Ge[5]-3:Si[5]-4:Si-4:Si-4:	Ge[5]-3:N[5]-3:N[5]-3:	Ge[5](Si[5]Si[5]Si2)2(C[5]N[5]2)	Si[5](Ge[5]Si[5]C[5])(Si[5]Si[5]CC)(SiC3)2	C[5](Ge[5]Si[5]2)(N[5]C[5]C)2	Ge[5](Si[5]Si[5]Si2)2(C[5]N[5]2){2|C<3>,6|C<4>}	Si[5](Ge[5]Si[5]C[5])(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<4>,2|N<3>}	C[5](Ge[5]Si[5]2)(N[5]C[5]C)2{6|Si<4>,2|C<4>}	99.3120	5.258	2	99.3120	27.646	2	99.3120	27.646	2	99.3120	27.646	2	99.3120	27.646	2	99.3120	27.646	2
939	562	992	0:SP2_SP3_SP3	Ge[5]	Si[5]	P	4:4:4:	4:3:4:4:	3:4:4:4:	Si[5]-4:Si[5]-4:P-4:	Si[5]-4:Ge[5]-3:Si-4:Si-4:	Ge[5]-3:C-4:C-4:C-4:	Ge[5](Si[5]Si[5]Si2)2(PC3)	Si[5](Si[5]Si[5]CC)(Ge[5]Si[5]P)(SiC3)2	P(Ge[5]Si[5]2)(CH3)3	Ge[5](Si[5]Si[5]Si2)2(PC3){4|C<4>}	Si[5](Si[5]Si[5]CC)(Ge[5]Si[5]P)(SiC3)2{2|Si<4>,2|C<4>}	P(Ge[5]Si[5]2)(CH3)3	103.6995	2.176	2	103.6995	4.734	2	103.6995	4.734	2	103.6995	4.734	2	103.6995	4.734	2	103.6995	4.734	2
939	606	606	5:SP2_SP3_SP3	Ge[5]	Ge[5]	Ge[5]	4:4:3:	3:4:4:4:	3:4:4:4:	Ge[5]-4:Ge[5]-4:C[5]-3:	Ge[5]-3:Si[5]-4:Si-4:Si-4:	Ge[5]-3:Si[5]-4:Si-4:Si-4:	Ge[5](Ge[5]Si[5]Si2)2(C[5]N[5]2)	Ge[5](Ge[5]Ge[5]C[5])(Si[5]Si[5]CC)(SiC3)2	Ge[5](Ge[5]Ge[5]C[5])(Si[5]Si[5]CC)(SiC3)2	Ge[5](Ge[5]Si[5]Si2)2(C[5]N[5]2){2|C<3>,6|C<4>}	Ge[5](Ge[5]Ge[5]C[5])(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<4>,2|N<3>}	Ge[5](Ge[5]Ge[5]C[5])(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<4>,2|N<3>}	96.9132	0.000	1	96.9132	0.000	1	96.9132	0.000	1	96.9132	0.000	1	99.0631	9.244	2	99.0631	9.244	2
939	606	606	5:SP2_SP3_SP3	Ge[5]	Ge[5]	Ge[5]	4:4:4:	4:3:4:4:	4:3:4:4:	Ge[5]-4:Ge[5]-4:P-4:	Si[5]-4:Ge[5]-3:Si-4:Si-4:	Si[5]-4:Ge[5]-3:Si-4:Si-4:	Ge[5](Ge[5]Si[5]Si2)2(PC3)	Ge[5](Si[5]Si[5]CC)(Ge[5]Ge[5]P)(SiC3)2	Ge[5](Si[5]Si[5]CC)(Ge[5]Ge[5]P)(SiC3)2	Ge[5](Ge[5]Si[5]Si2)2(PC3){4|C<4>}	Ge[5](Si[5]Si[5]CC)(Ge[5]Ge[5]P)(SiC3)2{2|Si<4>,2|C<4>}	Ge[5](Si[5]Si[5]CC)(Ge[5]Ge[5]P)(SiC3)2{2|Si<4>,2|C<4>}	101.2130	0.000	1	101.2130	0.000	1	101.2130	0.000	1	101.2130	0.000	1	99.0631	9.244	2	99.0631	9.244	2
939	606	818	0:SP2_SP2_SP3	Ge[5]	Ge[5]	C[5]	4:4:3:	3:4:4:4:	3:3:3:	Ge[5]-4:Ge[5]-4:C[5]-3:	Ge[5]-3:Si[5]-4:Si-4:Si-4:	Ge[5]-3:N[5]-3:N[5]-3:	Ge[5](Ge[5]Si[5]Si2)2(C[5]N[5]2)	Ge[5](Ge[5]Ge[5]C[5])(Si[5]Si[5]CC)(SiC3)2	C[5](Ge[5]Ge[5]2)(N[5]C[5]C)2	Ge[5](Ge[5]Si[5]Si2)2(C[5]N[5]2){2|C<3>,6|C<4>}	Ge[5](Ge[5]Ge[5]C[5])(Si[5]Si[5]CC)(SiC3)2{2|Si<4>,2|C<4>,2|N<3>}	C[5](Ge[5]Ge[5]2)(N[5]C[5]C)2{6|Si<4>,2|C<4>}	98.7717	5.274	2	98.7717	27.815	2	98.7717	27.815	2	98.7717	27.815	2	98.7717	27.815	2	98.7717	27.815	2
939	606	992	0:SP2_SP3_SP3	Ge[5]	Ge[5]	P	4:4:4:	4:3:4:4:	3:4:4:4:	Ge[5]-4:Ge[5]-4:P-4:	Si[5]-4:Ge[5]-3:Si-4:Si-4:	Ge[5]-3:C-4:C-4:C-4:	Ge[5](Ge[5]Si[5]Si2)2(PC3)	Ge[5](Si[5]Si[5]CC)(Ge[5]Ge[5]P)(SiC3)2	P(Ge[5]Ge[5]2)(CCHH)3	Ge[5](Ge[5]Si[5]Si2)2(PC3){4|C<4>}	Ge[5](Si[5]Si[5]CC)(Ge[5]Ge[5]P)(SiC3)2{2|Si<4>,2|C<4>}	P(Ge[5]Ge[5]2)(CCHH)3	101.8205	5.351	2	101.8205	28.630	2	101.8205	28.630	2	101.8205	28.630	2	101.8205	28.630	2	101.8205	28.630	2
939	643	727	0:SP2_SP2_SP2	Ge[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	Ge[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:Ge[5]-3:C[6a]-3:	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5])	C[6a](Ge[5]C[5,6a]Ge[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H)	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5]){1|H<1>,8|C<3>}	C[6a](Ge[5]C[5,6a]Ge[5])(C[6a]C[6a]2)2{1|P<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1
939	643	946	0:SP2_SP1_SP2	Ge[5]	C[6a]	Ge[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	Ge[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5])	C[6a](Ge[5]C[5,6a]Ge[5])(C[6a]C[6a]2)2	Ge[5](P[5]C[5,6a]C[6a]2)(Ge[5]C[5,6a]C[6a])	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5]){1|H<1>,8|C<3>}	C[6a](Ge[5]C[5,6a]Ge[5])(C[6a]C[6a]2)2{1|P<4>,2|H<1>,7|C<3>}	Ge[5](P[5]C[5,6a]C[6a]2)(Ge[5]C[5,6a]C[6a]){8|C<3>}	136.9420	0.000	1	136.9420	0.000	1	136.9420	0.000	1	136.9420	0.000	1	136.9420	0.000	1	136.9420	0.000	1
939	643	955	0:SP2_SP2_SP3	Ge[5]	C[6a]	P[5,5]	4:3:3:	3:3:3:	3:3:3:3:	P[5,5]-4:N[5]-3:C[6a]-3:	Ge[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-3:Ge[5]-3:N[5]-3:N[5]-3:	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](Ge[5]P[5,5]N[5])(C[6a]C[6a]H)2	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5])(N[5]C[5]C)2	Ge[5](P[5,5]C[5,5,6]N[5]2)(N[5]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	C[6a](Ge[5]P[5,5]N[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5])(N[5]C[5]C)2{3|C<3>,3|C<4>,5|H<1>}	104.4200	0.000	1	104.4200	0.000	1	104.4200	0.000	1	104.4200	0.000	1	104.4200	0.000	1	104.4200	0.000	1
939	727	790	0:SP2_SP-NON_SP2	Ge[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:Ge[5]-3:	Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl)	Cl(Ge[5]C[5,6a]O[5])	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl){1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl){2|C<3>,2|H<1>}	Cl(Ge[5]C[5,6a]O[5])	95.4489	0.000	1	95.4489	0.000	1	95.4489	0.000	1	95.4489	0.000	1	94.7749	0.560	3	94.7749	0.560	3
939	727	790	0:SP2_SP-NON_SP2	Ge[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl)	Cl(Ge[5]C[5,6a]N[5])	Ge[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(Cl){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(Ge[5]C[5,6a]N[5])	94.4380	0.662	2	94.4380	0.438	2	94.4380	0.438	2	94.4380	0.438	2	94.7749	0.560	3	94.7749	0.560	3
939	727	939	0:SP2_SP2_SP2	Ge[5]	C[5,6a]	Ge[5]	3:3:3:	3:3:3:	3:3:3:	Ge[5]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	Ge[5]-3:C[5,6a]-3:N[5]-3:	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5])	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	Ge[5](Ge[5]C[5,6a]N[5])(C[5,6a]C[5,6a]2)(N[5]C[6a]C[5]){1|C<4>,1|O<2>,8|C<3>}	99.8585	2.313	2	99.8585	5.350	2	99.8585	5.350	2	99.8585	5.350	2	99.8585	5.350	2	99.8585	5.350	2
939	727	946	5:SP2_SP1_SP2	Ge[5]	C[5,6a]	Ge[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:Ge[5]-3:C[6a]-3:	P[5]-4:Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H)	Ge[5](P[5]C[5,6a]C[6a]2)(Ge[5]C[5,6a]C[6a])	Ge[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]P[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	Ge[5](P[5]C[5,6a]C[6a]2)(Ge[5]C[5,6a]C[6a]){8|C<3>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1
939	727	976	5:SP2_SP2_SP2	Ge[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:Ge[5]-3:	S[5]-3:Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl)	O[5](S[5]C[5,6a]C[6a])(Ge[5]C[5,6a]Cl)	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl){1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl){2|C<3>,2|H<1>}	O[5](S[5]C[5,6a]C[6a])(Ge[5]C[5,6a]Cl){4|C<3>}	82.6835	0.000	1	82.6835	0.000	1	82.6835	0.000	1	82.6835	0.000	1	82.6835	0.000	1	82.6835	0.000	1
939	727	999	6:SP2_SP2_SP3	Ge[5,5,6]	C[5,6,6a]	N[5,5,6]	3:4:3:	3:3:3:	4:3:2:4:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-3:	Ge[5,5,6]-3:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C)	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3)	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C){2|H<1>,5|C<3>}	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|Ge<2>,1|C<3>,3|C<4>,3|H<1>}	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3){1|C<4>,1|H<1>,4|C<3>}	93.1409	0.000	1	93.1409	0.000	1	93.1409	0.000	1	93.1409	0.000	1	93.1409	0.000	1	93.1409	0.000	1
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:3:1:	3:	3:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Ge[5]-3:	C[6a]-3:C[6a]-3:Ge[5]-3:C[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl)	Cl(Ge[5]N[5]P[5])	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(C[5]C[5]C)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]C[5])(Cl){1|C<4>,7|C<3>}	Cl(Ge[5]N[5]P[5])	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(C[5]C[5]C){1|C<4>,4|H<1>,5|C<3>}	93.1597	0.000	1	93.1597	0.000	1	93.1597	0.000	1	94.4166	2.229	4	91.0700	19.123	13	91.0700	19.123	13
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:3:1:	3:	3:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Ge[5]-3:	C[6a]-3:C[6a]-3:Ge[5]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	Cl(Ge[5]N[5]P[5])	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Cl<1>,8|C<3>}	Cl(Ge[5]N[5]P[5])	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl){4|H<1>,7|C<3>}	95.6944	0.392	2	95.6944	0.153	2	95.6944	0.153	2	94.4166	2.229	4	91.0700	19.123	13	91.0700	19.123	13
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:3:1:	3:	3:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Ge[5]-3:	Ge[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	Cl(Ge[5]N[5]P[5])	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Ge<3>,8|C<3>}	Cl(Ge[5]N[5]P[5])	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|P<4>,4|H<1>,7|C<3>}	93.1177	0.000	1	93.1177	0.000	1	93.1177	0.000	1	94.4166	2.229	4	91.0700	19.123	13	91.0700	19.123	13
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:3:1:	3:	4:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	Cl(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|C<4>,2|H<1>,6|C<3>}	Cl(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|C<4>,4|H<1>,5|C<3>}	86.5473	0.804	2	86.3628	0.903	5	86.3628	0.903	5	86.3628	0.903	5	91.0700	19.123	13	91.0700	19.123	13
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:3:1:	3:	4:3:3:3:	P[5]-4:N[5]-3:Cl-1:	Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl)	Cl(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Cl){2|H<1>,8|C<3>}	Cl(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){4|H<1>,7|C<3>}	86.2398	1.194	3	86.3628	0.903	5	86.3628	0.903	5	86.3628	0.903	5	91.0700	19.123	13	91.0700	19.123	13
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:4:1:	3:	3:3:3:3:	P[5]-4:P[5]-4:Cl-1:	Ge[5]-3:	C[6a]-3:C[6a]-3:Ge[5]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Cl)	Cl(Ge[5]P[5]2)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Cl){1|Cl<1>,9|C<3>}	Cl(Ge[5]P[5]2)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl){4|H<1>,7|C<3>}	90.5389	0.240	2	90.5389	0.057	2	90.5389	0.057	2	93.6074	12.611	4	91.0700	19.123	13	91.0700	19.123	13
939	790	955	0:SP2_SP-NON_SP3	Ge[5]	Cl	P[5]	4:4:1:	3:	3:3:3:3:	P[5]-4:P[5]-4:Cl-1:	Ge[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Cl)	Cl(Ge[5]P[5]2)	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Cl){1|Cl<1>,9|C<3>}	Cl(Ge[5]P[5]2)	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl){1|Cl<1>,4|H<1>,8|C<3>}	96.6758	0.337	2	96.6758	0.114	2	96.6758	0.114	2	93.6074	12.611	4	91.0700	19.123	13	91.0700	19.123	13
939	790	976	0:SP2_SP-NON_SP2	Ge[5]	Cl	O[5]	3:2:1:	3:	3:3:	C[5,6a]-3:O[5]-2:Cl-1:	Ge[5]-3:	S[5]-3:Ge[5]-3:	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl)	Cl(Ge[5]C[5,6a]O[5])	O[5](S[5]C[5,6a]C[6a])(Ge[5]C[5,6a]Cl)	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl){1|S<4>,3|C<3>}	Cl(Ge[5]C[5,6a]O[5])	O[5](S[5]C[5,6a]C[6a])(Ge[5]C[5,6a]Cl){4|C<3>}	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1
939	856	999	6:SP2_SP2_SP3	Ge[5,6]	N[6,6]	N[5,6,6]	4:3:3:	3:3:3:	4:3:4:1:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	88.5650	0.000	1	88.5650	0.000	1	88.5650	0.000	1	88.5650	0.000	1	88.5650	0.000	1	88.5650	0.000	1
939	924	955	0:SP2_SP-NON_SP3	Ge[5]	Br	P[5]	4:3:1:	3:	4:3:3:3:	P[5]-4:N[5]-3:Br-1:	Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	Br(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|C<4>,2|H<1>,6|C<3>}	Br(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){2|C<4>,4|H<1>,5|C<3>}	86.4691	0.907	2	85.8915	1.412	3	85.8915	1.412	3	85.8915	1.412	3	85.0789	1.986	5	85.0789	1.986	5
939	924	955	0:SP2_SP-NON_SP3	Ge[5]	Br	P[5]	4:3:1:	3:	4:3:3:3:	P[5]-4:N[5]-3:Br-1:	Ge[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br)	Br(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	Ge[5](P[5]C[6a]2C[5])(N[5]C[6a]Si[5])(Br){2|H<1>,8|C<3>}	Br(Ge[5]N[5]P[5])	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){4|H<1>,7|C<3>}	84.7362	0.000	1	85.8915	1.412	3	85.8915	1.412	3	85.8915	1.412	3	85.0789	1.986	5	85.0789	1.986	5
939	924	955	0:SP2_SP-NON_SP3	Ge[5]	Br	P[5]	4:4:1:	3:	3:3:4:4:	P[5]-4:P[5]-4:Br-1:	Ge[5]-3:	C[5,6a]-3:Ge[5]-3:C-4:C-4:	Ge[5](P[5]C[5,6a]CC)2(Br)	Br(Ge[5]P[5]2)	P[5](C[5,6a]C[5,6a]C[6a])(Ge[5]P[5]Br)(CH3)2	Ge[5](P[5]C[5,6a]CC)2(Br){2|C<3>}	Br(Ge[5]P[5]2)	P[5](C[5,6a]C[5,6a]C[6a])(Ge[5]P[5]Br)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	83.8601	0.409	2	83.8601	0.167	2	83.8601	0.167	2	83.8601	0.167	2	85.0789	1.986	5	85.0789	1.986	5
939	939	955	5:SP2_SP2_SP3	Ge[5]	Ge[5]	P[5]	4:4:3:	4:4:3:	3:3:3:3:	P[5]-4:P[5]-4:Ge[5]-3:	P[5]-4:P[5]-4:Ge[5]-3:	Ge[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2)	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2){13|C<3>,1|Cl<1>,1|Ge<3>,1|N<3>}	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2){13|C<3>,1|Cl<1>,1|Ge<3>,1|N<3>}	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|P<4>,4|H<1>,7|C<3>}	98.8844	0.000	1	98.8844	0.000	1	98.8844	0.000	1	97.8492	2.143	2	97.8492	2.143	2	97.8492	2.143	2
939	939	955	5:SP2_SP2_SP3	Ge[5]	Ge[5]	P[5]	4:4:3:	4:4:3:	3:3:3:3:	P[5]-4:P[5]-4:Ge[5]-3:	P[5]-4:P[5]-4:Ge[5]-3:	Ge[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2)	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2){13|C<3>,1|Cl<1>,1|Ge<3>,1|N<3>}	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2){13|C<3>,1|Cl<1>,1|Ge<3>,1|N<3>}	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2{1|Cl<1>,2|P<4>,4|H<1>,8|C<3>}	96.8139	0.000	1	96.8139	0.000	1	96.8139	0.000	1	97.8492	2.143	2	97.8492	2.143	2	97.8492	2.143	2
939	955	955	5:SP2_SP3_SP3	Ge[5]	P[5]	P[5]	4:4:1:	3:3:3:3:	3:3:3:3:	P[5]-4:P[5]-4:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:Ge[5]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Cl)	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Cl){1|Cl<1>,9|C<3>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl){1|Cl<1>,4|H<1>,8|C<3>}	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl){4|H<1>,7|C<3>}	85.4659	0.354	2	85.4659	0.126	2	85.4659	0.126	2	85.4659	0.126	2	84.5403	4.684	4	84.5403	4.684	4
939	955	955	5:SP2_SP3_SP3	Ge[5]	P[5]	P[5]	4:4:1:	3:3:4:4:	3:3:4:4:	P[5]-4:P[5]-4:Br-1:	C[5,6a]-3:Ge[5]-3:C-4:C-4:	C[5,6a]-3:Ge[5]-3:C-4:C-4:	Ge[5](P[5]C[5,6a]CC)2(Br)	P[5](C[5,6a]C[5,6a]C[6a])(Ge[5]P[5]Br)(CH3)2	P[5](C[5,6a]C[5,6a]C[6a])(Ge[5]P[5]Br)(CH3)2	Ge[5](P[5]C[5,6a]CC)2(Br){2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(Ge[5]P[5]Br)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(Ge[5]P[5]Br)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	81.3236	0.000	1	81.3236	0.000	1	81.3236	0.000	1	81.3236	0.000	1	84.5403	4.684	4	84.5403	4.684	4
939	955	955	5:SP2_SP3_SP3	Ge[5]	P[5]	P[5]	4:4:3:	3:3:3:3:	3:3:3:3:	P[5]-4:P[5]-4:Ge[5]-3:	Ge[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2)	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(P[5]C[6a]2N[5])(Ge[5]P[5]2){13|C<3>,1|Cl<1>,1|Ge<3>,1|N<3>}	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2{1|Cl<1>,2|P<4>,4|H<1>,8|C<3>}	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|P<4>,4|H<1>,7|C<3>}	85.9057	0.000	1	85.9057	0.000	1	85.9057	0.000	1	85.9057	0.000	1	84.5403	4.684	4	84.5403	4.684	4
939	982	983	0:SP2_SP1_SPD5	Ge[5]	Ge[3,3,5]	C	5:3:2:	3:3:3:4:3:	3:2:	Ge[3,3,5]-5:N[5]-3:C-2:	N[3]-3:N[3]-3:N[5]-3:B[3,3]-4:Ge[5]-3:	Ge[5]-3:N-2:	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C)	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C){1|N<3>,7|C<3>}	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	92.6491	0.000	1	92.6491	0.000	1	92.6295	0.001	2	92.6295	0.001	2	92.6295	0.001	2	92.6295	0.001	2
939	982	983	0:SP2_SP1_SPD5	Ge[5]	Ge[3,3,5]	C	5:3:2:	3:3:3:4:3:	3:2:	Ge[3,3,5]-5:N[5]-3:C-2:	N[3]-3:N[3]-3:N[5]-3:B[3,3]-4:Ge[5]-3:	Ge[5]-3:N-2:	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C)	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C){1|N<3>,7|C<3>}	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	92.6100	0.000	1	92.6100	0.000	1	92.6295	0.001	2	92.6295	0.001	2	92.6295	0.001	2	92.6295	0.001	2
939	999	999	5:SP2_SP3_SP3	Ge[3x5]	N[5,5]	N[5,5]	4:4:4:	3:4:4:4:	3:4:4:4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:	Ge[3x5]-3:C[5]-4:C[5]-4:C-4:	Ge[3x5]-3:C[5]-4:C[5]-4:C-4:	Ge[3x5](N[5,5]C[5]2C)3	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3)	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3)	Ge[3x5](N[5,5]C[5]2C)3{12|H<1>}	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	82.9212	0.260	3	82.9212	0.067	3	82.9212	0.067	3	82.9212	0.067	3	82.9212	0.067	3	82.9212	0.067	3
940	3	940	0:SP-NON_SP-NON_SP2	P	B[5a]	P	3:2:	3:3:2:	3:2:	B[5a]-3:P-2:	N[5a]-3:N[5a]-3:P-2:	B[5a]-3:P-2:	P(B[5a]N[5a]2)(PB[5a])	B[5a](N[5a]C[5a]C[6a])2(PP)	P(B[5a]N[5a]2)(PB[5a])	P(B[5a]N[5a]2)(PB[5a])	B[5a](N[5a]C[5a]C[6a])2(PP){2|H<1>,4|C<3>}	P(B[5a]N[5a]2)(PB[5a])	97.0140	0.000	1	97.0140	0.000	1	97.0140	0.000	1	97.0140	0.000	1	97.0140	0.000	1	97.0140	0.000	1
940	3	983	0:SP-NON_SP1_SP2	P	B[5a]	C	3:2:	3:3:2:	2:2:	B[5a]-3:C-2:	N[5a]-3:N[5a]-3:P-2:	N-2:P-2:	P(B[5a]N[5a]2)(CN)	B[5a](N[5a]C[5a]C[6a])2(PC)	C(NC[6a])(PB[5a])	P(B[5a]N[5a]2)(CN)	B[5a](N[5a]C[5a]C[6a])2(PC){2|H<1>,4|C<3>}	C(NC[6a])(PB[5a])	101.8060	0.000	1	101.8060	0.000	1	101.8060	0.000	1	102.6933	0.621	3	102.6933	0.621	3	102.6933	0.621	3
940	3	983	0:SP-NON_SP1_SP2	P	B[5a]	C	3:2:	3:3:2:	2:2:	B[5a]-3:C-2:	N[5a]-3:N[5a]-3:P-2:	P-2:N-2:	P(B[5a]N[5a]2)(CN)	B[5a](N[5a]C[5a]C[6a])2(PC)	C(PB[5a])(NC)	P(B[5a]N[5a]2)(CN)	B[5a](N[5a]C[5a]C[6a])2(PC){2|H<1>,4|C<3>}	C(PB[5a])(NC)	103.1370	0.246	2	103.1370	0.061	2	103.1370	0.061	2	102.6933	0.621	3	102.6933	0.621	3	102.6933	0.621	3
940	82	983	0:SP-NON_SP1_SPD5	P	Ga[5,6,6]	C	5:2:	3:3:2:2:2:	2:1:	Ga[5,6,6]-5:C-2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:P-2:	P-2:O-1:	P(Ga[5,6,6]N[5,6]2O[6]2)(CO)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(PC)	C(PGa[5,6,6])(O)	P(Ga[5,6,6]N[5,6]2O[6]2)(CO)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(PC){4|C<3>,6|H<1>}	C(PGa[5,6,6])(O)	88.4304	0.000	1	88.4304	0.000	1	88.4304	0.000	1	88.4304	0.000	1	88.4304	0.000	1	88.4304	0.000	1
940	159	951	0:SP-NON_SP-NON_SP2	P	Si[6a]	H	3:1:	3:3:2:	2:	Si[6a]-3:H-1:	N[6a]-3:N[6a]-3:P-2:	P-2:	P(Si[6a]N[6a]2)(H)	Si[6a](N[6a]C[6a]2)2(PH)	H(PSi[6a])	P(Si[6a]N[6a]2)(H)	Si[6a](N[6a]C[6a]2)2(PH){1|C<4>,6|C<3>}	H(PSi[6a])	86.3473	0.000	1	86.3473	0.000	1	86.3473	0.000	1	86.3473	0.000	1	86.3473	0.000	1	86.3473	0.000	1
940	246	818	0:SP-NON_SP2_SP3	P	P[5,5]	C[5]	3:3:	3:3:2:	3:3:2:	P[5,5]-3:C[5]-3:	P[3,5,5]-3:P[4x5]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(P[5,5]P[3,5,5]P[4x5])(C[5]N[5]2)	P[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(PC[5])	C[5](N[5]C[6a]C[5])2(PP[5,5])	P(P[5,5]P[3,5,5]P[4x5])(C[5]N[5]2)	P[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(PC[5]){2|P<3>}	C[5](N[5]C[6a]C[5])2(PP[5,5]){4|C<3>,4|H<1>}	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1
940	310	818	0:SP-NON_SP2_SP3	P	Ge	C[5]	3:4:	2:1:1:1:	3:4:2:	C[5]-3:Ge-4:	P-2:Cl-1:Cl-1:Cl-1:	N[5]-3:C[5]-4:P-2:	P(C[5]C[5]N[5])(GeCl3)	Ge(PC[5])(Cl)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PGe)	P(C[5]C[5]N[5])(GeCl3)	Ge(PC[5])(Cl)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PGe){2|C<3>,2|C<4>,2|H<1>}	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	109.3793	2.035	3	109.3793	2.035	3
940	310	818	0:SP-NON_SP2_SP3	P	Ge	C[5]	3:4:	3:3:3:2:	3:3:2:	C[5]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)(GeC[6a]3)	Ge(C[6a]C[6a]2)3(PC[5])	C[5](N[5]C[6a]C[5])2(PGe)	P(C[5]N[5]2)(GeC[6a]3)	Ge(C[6a]C[6a]2)3(PC[5])	C[5](N[5]C[6a]C[5])2(PGe){2|H<1>,4|C<3>}	110.2000	0.168	2	110.2000	0.028	2	110.2000	0.028	2	110.2000	0.028	2	109.3793	2.035	3	109.3793	2.035	3
940	310	930	0:SP-NON_SP2_SP3	P	Ge	C	4:3:	3:3:3:2:	3:2:1:	Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[5]-3:P-2:O-1:	P(GeC[6a]3)(CC[5]O)	Ge(C[6a]C[6a]2)3(PC)	C(C[5]N[5]2)(PGe)(O)	P(GeC[6a]3)(CC[5]O)	Ge(C[6a]C[6a]2)3(PC)	C(C[5]N[5]2)(PGe)(O)	93.5169	0.000	1	93.5169	0.000	1	93.5169	0.000	1	93.5169	0.000	1	103.0802	40.888	4	103.0802	40.888	4
940	310	930	0:SP-NON_SP2_SP3	P	Ge	C	4:3:	3:3:3:2:	3:2:2:	Ge-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	P-3:O-2:P-2:	P(GeC[6a]3)(COP)	Ge(C[6a]C[6a]2)3(PC)	C(PCC)(OSi)(PGe)	P(GeC[6a]3)(COP)	Ge(C[6a]C[6a]2)3(PC)	C(PCC)(OSi)(PGe)	106.2680	0.600	3	106.2680	0.360	3	106.2680	0.360	3	106.2680	0.360	3	103.0802	40.888	4	103.0802	40.888	4
940	466	930	0:SP-NON_SP2_SP3	P	C[6]	C	4:3:	4:4:2:1:	4:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:P-2:H-1:	C-4:P-2:C-4:	P(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)2(PC)(H)	C(CC[6a]HO)(PC[6])(CC3)	P(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	C(CC[6a]HO)(PC[6])(CC3)	108.7195	0.090	2	108.7195	0.008	2	108.7195	0.008	2	108.7195	0.008	2	108.7195	0.008	2	108.7195	0.008	2
940	466	940	0:SP-NON_SP-NON_SP3	P	C[3x6]	P	4:2:	3:3:4:2:	3:2:	C[3x6]-4:P-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[6a]-3:P-2:	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	P(C[6a]C[6a]2)(PC[3x6])	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	P(C[6a]C[6a]2)(PC[3x6])	101.5810	0.000	1	102.2810	0.980	2	102.2810	0.980	2	102.0113	1.739	4	102.0113	1.739	4	102.0113	1.739	4
940	466	940	0:SP-NON_SP-NON_SP3	P	C[3x6]	P	4:2:	3:3:4:2:	3:2:	C[3x6]-4:P-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[6a]-3:P-2:	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	P(C[6a]C[6a]2)(PC[3x6])	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	P(C[6a]C[6a]2)(PC[3x6])	102.9810	0.000	1	102.2810	0.980	2	102.2810	0.980	2	102.0113	1.739	4	102.0113	1.739	4	102.0113	1.739	4
940	466	940	0:SP-NON_SP-NON_SP3	P	C[3x6]	P	4:2:	3:3:4:2:	3:2:	C[3x6]-4:P-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[6a]-3:P-2:	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	P(C[6a]C[6a]2)(PC[3x6])	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	P(C[6a]C[6a]2)(PC[3x6])	101.7415	1.986	2	101.7415	3.945	2	101.7415	3.945	2	102.0113	1.739	4	102.0113	1.739	4	102.0113	1.739	4
940	490	490	0:SP-NON_SP3_SP3	P	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	C-4:P-2:H-1:H-1:	C-4:P-2:H-1:H-1:	P(CCHH)2	C(CC[5]HH)(PC)(H)2	C(CC[5]HH)(PC)(H)2	P(CCHH)2	C(CC[5]HH)(PC)(H)2	C(CC[5]HH)(PC)(H)2	101.1420	0.000	1	101.1420	0.000	1	101.1420	0.000	1	101.1420	0.000	1	101.1420	0.000	1	101.1420	0.000	1
940	490	643	0:SP-NON_SP2_SP3	P	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	P-2:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CSi2H)	C(PC[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PC)	P(C[6a]C[6a]2)(CSi2H)	C(PC[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PC){1|C<3>,2|H<1>}	104.5045	0.112	2	104.5045	0.013	2	104.5045	0.013	2	104.5045	0.013	2	104.5045	0.013	2	104.5045	0.013	2
940	490	818	0:SP-NON_SP2_SP3	P	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	P-2:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)(CH3)	C(PC[5])(H)3	C[5](N[5]C[5]C)2(PC)	P(C[5]N[5]2)(CH3)	C(PC[5])(H)3	C[5](N[5]C[5]C)2(PC){4|H<1>}	104.4720	0.000	1	104.4720	0.000	1	105.4715	1.998	2	105.4715	1.998	2	105.4715	1.998	2	105.4715	1.998	2
940	490	818	0:SP-NON_SP2_SP3	P	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	P-2:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)(CH3)	C(PC[5])(H)3	C[5](N[5]C[6a]C[5])2(PC)	P(C[5]N[5]2)(CH3)	C(PC[5])(H)3	C[5](N[5]C[6a]C[5])2(PC){2|H<1>,4|C<3>}	106.4710	0.000	1	106.4710	0.000	1	105.4715	1.998	2	105.4715	1.998	2	105.4715	1.998	2	105.4715	1.998	2
940	490	863	0:SP-NON_SP2_SP3	P	C	O	4:1:	4:2:1:1:	2:	C-4:O-1:	C-4:P-2:H-1:H-1:	P-2:	P(CCHH)(O)	C(CH3)(PO)(H)2	O(PC)	P(CCHH)(O)	C(CH3)(PO)(H)2	O(PC)	172.8470	0.000	1	172.8470	0.000	1	172.8470	0.000	1	172.8470	0.000	1	172.8470	0.000	1	172.8470	0.000	1
940	643	643	0:SP-NON_SP2_SP2	P	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a])	C[6a](C[6a]C[6a]C)2(PC[6a])	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(PC[6a]){1|C<3>,2|H<1>}	101.5010	0.000	1	101.5010	0.000	1	104.5216	11.802	9	104.5216	11.802	9	104.5216	11.802	9	104.5216	11.802	9
940	643	643	0:SP-NON_SP2_SP2	P	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a])	P(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(PC[6a]){1|C<3>,2|H<1>}	104.8991	3.467	8	104.8991	12.022	8	104.5216	11.802	9	104.5216	11.802	9	104.5216	11.802	9	104.5216	11.802	9
940	643	670	0:SP-NON_SP2_SP2	P	C[6a]	Ge	3:3:	3:3:2:	2:4:4:	C[6a]-3:Ge-3:	C[6a]-3:C[6a]-3:P-2:	P-2:Si-4:Si-4:	P(C[6a]C[6a]2)(GeSi2)	C[6a](C[6a]C[6a]C)2(PGe)	Ge(PC[6a])(SiC3)2	P(C[6a]C[6a]2)(GeSi2)	C[6a](C[6a]C[6a]C)2(PGe){1|C<3>,2|H<1>}	Ge(PC[6a])(SiC3)2	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1
940	643	727	0:SP-NON_SP2_SP2	P	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	C[5a]-3:S[5a]-2:P-2:	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a])	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]){1|C<3>,1|H<1>}	98.4819	0.000	1	98.4819	0.000	1	98.4819	0.000	1	98.4819	0.000	1	98.4819	0.000	1	98.4819	0.000	1
940	643	762	0:SP-NON_SP2_SP2	P	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-2:	N[6]-3:N[6]-3:P-2:	P(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(PC[6])	C[6](N[6]C[6a]C[6])2(PC[6a])	P(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(PC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(PC[6a]){1|C<4>,2|O<1>,4|C<3>}	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	107.4085	1.796	2	107.4085	1.796	2
940	643	762	0:SP-NON_SP2_SP2	P	C[6a]	C[6]	3:3:	3:3:2:	4:4:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	Ge[6]-4:C[6]-4:P-2:	P(C[6]Ge[6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[6])	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a])	P(C[6]Ge[6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[6]){1|C<3>,2|H<1>}	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a]){1|H<1>,3|C<3>}	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	107.4085	1.796	2	107.4085	1.796	2
940	643	790	0:SP-NON_SP-NON_SP2	P	C[6a]	Cl	3:1:	3:3:2:	2:	C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a,6a]-3:P-2:	P-2:	P(C[6a]C[6a,6a]2)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCl)	Cl(PC[6a])	P(C[6a]C[6a,6a]2)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCl){2|P<3>,5|C<3>}	Cl(PC[6a])	101.9590	0.000	1	101.9590	0.000	1	101.9590	0.000	1	101.9590	0.000	1	101.9590	0.000	1	101.9590	0.000	1
940	643	818	0:SP-NON_SP2_SP2	P	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	C[5,6a]-3:C[5,6a]-3:P-2:	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a])	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	105.2737	1.102	3	105.2737	1.215	3	105.2737	1.215	3	104.2379	4.306	9	104.2379	4.306	9	104.2379	4.306	9
940	643	818	0:SP-NON_SP2_SP2	P	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]2)2(PC[5])	C[5](N[5]C[5]C)2(PC[6a])	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]2)2(PC[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5]C)2(PC[6a]){2|C<4>}	102.2125	2.821	2	102.4443	4.139	3	103.7200	5.439	6	104.2379	4.306	9	104.2379	4.306	9	104.2379	4.306	9
940	643	818	0:SP-NON_SP2_SP2	P	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]2)2(PC[5])	C[5](N[5]C[5]C)2(PC[6a])	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]2)2(PC[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5]C)2(PC[6a]){2|H<1>}	102.9080	0.000	1	102.4443	4.139	3	103.7200	5.439	6	104.2379	4.306	9	104.2379	4.306	9	104.2379	4.306	9
940	643	818	0:SP-NON_SP2_SP2	P	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(PC[5])	C[5](N[5]C[5]C)2(PC[6a])	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(PC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(PC[6a]){2|C<4>}	102.5830	0.000	1	102.5830	0.000	1	103.7200	5.439	6	104.2379	4.306	9	104.2379	4.306	9	104.2379	4.306	9
940	643	818	0:SP-NON_SP2_SP2	P	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(PC[5])	C[5](N[5]C[5]C)2(PC[6a])	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(PC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(PC[6a]){4|H<1>}	105.7440	0.000	1	105.7440	0.000	1	103.7200	5.439	6	104.2379	4.306	9	104.2379	4.306	9	104.2379	4.306	9
940	643	818	0:SP-NON_SP2_SP2	P	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(PC[5])	C[5](N[5]C[6a]C[5])2(PC[6a])	P(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(PC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(PC[6a]){2|O<1>,4|C<3>}	106.6600	0.000	1	106.6600	0.000	1	103.7200	5.439	6	104.2379	4.306	9	104.2379	4.306	9	104.2379	4.306	9
940	643	846	0:SP-NON_SP2_SP2	P	C[6a]	C[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:P-2:	C[4]-3:C[4]-3:P-2:	P(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]C)2(PC[4])	C[4](C[4]C[3]C[4])(C[4]C[4]P)(PC[6a])	P(C[6a]C[6a]2)(C[4]C[4]2)	C[6a](C[6a]C[6a]C)2(PC[4]){1|C<3>,2|H<1>}	C[4](C[4]C[3]C[4])(C[4]C[4]P)(PC[6a]){1|H<1>,3|C<4>}	100.2412	0.367	2	100.2412	0.135	2	100.2412	0.135	2	100.2412	0.135	2	101.6571	6.082	3	101.6571	6.082	3
940	643	846	0:SP-NON_SP2_SP2	P	C[6a]	C[4]	3:3:	3:3:2:	4:4:2:	C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	Ge[4]-4:C[4]-4:P-2:	P(C[4]Ge[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[4])	C[4](Ge[4]C[6a]O[4]C)(C[4]O[4]CH)(PC[6a])	P(C[4]Ge[4]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(PC[4]){1|C<3>,2|H<1>}	C[4](Ge[4]C[6a]O[4]C)(C[4]O[4]CH)(PC[6a]){2|C<3>}	104.4890	0.000	1	104.4890	0.000	1	104.4890	0.000	1	104.4890	0.000	1	101.6571	6.082	3	101.6571	6.082	3
940	643	880	0:SP-NON_SP2_SP3	P	C[6a]	Si	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:P-2:	C[5]-3:P-2:Cl-1:Cl-1:	P(C[6a]C[6a]2)(SiC[5]Cl2)	C[6a](C[6a]C[6a]C)2(PSi)	Si(C[5]C[5,6]N[5])(PC[6a])(Cl)2	P(C[6a]C[6a]2)(SiC[5]Cl2)	C[6a](C[6a]C[6a]C)2(PSi){1|C<3>,2|H<1>}	Si(C[5]C[5,6]N[5])(PC[6a])(Cl)2	99.6359	0.000	1	99.6359	0.000	1	99.6359	0.000	1	99.6359	0.000	1	99.6359	0.000	1	99.6359	0.000	1
940	643	902	0:SP-NON_SP2_SP2	P	C[6a]	C[3]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:P-2:	C[3]-3:C[3]-3:P-2:	P(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]C)2(PC[3])	C[3](C[3]C[3]P)2(PC[6a])	P(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]C)2(PC[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]P)2(PC[6a])	101.5290	0.000	1	101.5290	0.000	1	101.5290	0.000	1	101.5290	0.000	1	101.5290	0.000	1	101.5290	0.000	1
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-2:Br-1:F-1:	P(C[6a]C[6a]2)(CBrF)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a])(Br)(F)	P(C[6a]C[6a]2)(CBrF)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a])(Br)(F)	98.5097	0.000	1	98.5097	0.000	1	98.5097	0.000	1	98.5097	0.000	1	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	2:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-2:C-2:C-2:	P(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a])(CC)2	P(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a])(CC)2	103.5320	0.000	1	103.5320	0.000	1	103.5320	0.000	1	103.5320	0.000	1	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	2:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	N-2:P-2:C-4:	P(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(PC)	C(NC[6a])(PC[6a])(CC3)	P(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(NC[6a])(PC[6a])(CC3)	112.7750	1.672	2	112.7750	2.794	2	112.7750	2.794	2	112.7750	2.794	2	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-2:C-4:H-1:	P(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a])(CCHH)(H)	P(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a])(CCHH)(H)	103.1980	0.000	1	103.1980	0.000	1	103.1150	0.245	3	102.5004	0.845	5	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-2:C-4:H-1:	P(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a])(CHHP)(H)	P(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a])(CHHP)(H)	103.0735	0.692	2	103.0735	0.479	2	103.1150	0.245	3	102.5004	0.845	5	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-2:P-4:Cl-1:	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a])(PNNS)(Cl)	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a])(PNNS)(Cl)	101.5785	0.238	2	101.5785	0.057	2	101.5785	0.057	2	102.5004	0.845	5	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:H-1:	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)2(PC)	C(C[6a]C[6a]2)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]2)2(PC){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(PC[6a])(H)	104.4330	4.042	2	104.4330	16.336	2	102.6181	8.580	6	102.6181	8.580	6	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:H-1:	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	98.7199	0.000	1	98.7199	0.000	1	102.6181	8.580	6	102.6181	8.580	6	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:H-1:	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]2)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a])(H)	102.7077	1.542	3	102.7077	2.378	3	102.6181	8.580	6	102.6181	8.580	6	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:C-2:	P(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]2)(PC[6a])(CC)	P(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a])(CC)	100.9910	0.000	1	100.9910	0.000	1	100.9910	0.000	1	102.5300	1.899	3	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:O-2:	P(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]2)(PC[6a])(OP)	P(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a])(OP)	103.6490	0.000	1	103.6490	0.000	1	103.2995	0.244	2	102.5300	1.899	3	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:O-2:	P(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]2)(PC[6a])(OSi)	P(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(PC[6a])(OSi)	102.9500	0.000	1	102.9500	0.000	1	103.2995	0.244	2	102.5300	1.899	3	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6]-3:P-2:C-4:	P(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6]N[6]2)(PC[6a])(CCHH)	P(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6]N[6]2)(PC[6a])(CCHH)	102.0980	1.002	3	102.0980	1.004	3	102.0980	1.004	3	103.4755	8.259	4	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-3:P-2:Si-4:	P(C[6a]C[6a]2)(CSiP)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a]2)(PC[6a])(SiC3)	P(C[6a]C[6a]2)(CSiP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a]2)(PC[6a])(SiC3)	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	103.4755	8.259	4	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]2)2(PC)	C(C[6a]C[6a]2)2(PC[6a])	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]2)2(PC){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)2(PC[6a])	108.8940	0.000	1	108.8940	0.000	1	106.5437	3.083	10	105.9031	4.887	12	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	106.6990	1.448	3	106.6990	2.095	3	106.5437	3.083	10	105.9031	4.887	12	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]2)2(PC[6a])	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(PC[6a])	106.0795	1.858	4	106.0795	3.451	4	106.5437	3.083	10	105.9031	4.887	12	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	104.2910	0.000	1	104.2910	0.000	1	106.5437	3.083	10	105.9031	4.887	12	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]O)2(PC)	C(C[6a]C[6a]2)2(PC[6a])	P(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]O)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(PC[6a])	107.8370	0.000	1	107.8370	0.000	1	106.5437	3.083	10	105.9031	4.887	12	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:N-3:P-2:	P(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	P(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	102.7000	1.175	2	102.7000	1.381	2	102.7000	1.381	2	105.9031	4.887	12	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C-4:P-2:Br-1:	P(C[6a]C[6a]2)(CBrC)	C[6a](C[6a]C[6a]C)2(PC)	C(CC[3]HO)(PC[6a])(Br)	P(C[6a]C[6a]2)(CBrC)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(CC[3]HO)(PC[6a])(Br)	105.0450	0.000	1	105.0450	0.000	1	105.0450	0.000	1	102.9186	4.139	7	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[5]-4:P-2:H-1:	P(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(PC)	C(C[5]C[5]2Fe)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(PC[6a])(H)	104.2430	0.986	2	104.2430	0.972	2	104.2430	0.972	2	102.9186	4.139	7	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	Ge-4:P-2:Cl-1:	P(C[6a]C[6a]2)(CClGe)	C[6a](C[6a]C[6a]C)2(PC)	C(GeC[6a]CF)(PC[6a])(Cl)	P(C[6a]C[6a]2)(CClGe)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(GeC[6a]CF)(PC[6a])(Cl)	102.9660	0.000	1	102.9660	0.000	1	102.9660	0.000	1	102.9186	4.139	7	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-4:P-2:Cl-1:	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a]2S)(PC[6a])(Cl)	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a]2S)(PC[6a])(Cl)	100.4016	1.766	2	100.4016	3.117	2	101.3110	4.040	3	102.9186	4.139	7	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-4:P-2:Cl-1:	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a]2W)(PC[6a])(Cl)	P(C[6a]C[6a]2)(CClP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a]2W)(PC[6a])(Cl)	103.1300	0.000	1	103.1300	0.000	1	101.3110	4.040	3	102.9186	4.139	7	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[6]-4:P-2:C-4:	P(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(PC)	C(C[6]C[6]P[6]H)(PC[6a])(CH3)	P(C[6a]C[6a]2)(CC[6]C)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[6]C[6]P[6]H)(PC[6a])(CH3)	102.1860	0.936	2	102.1860	0.876	2	102.1860	0.876	2	104.8400	10.231	4	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	P-4:P-2:Si-4:	P(C[6a]C[6a]2)(CSiP)	C[6a](C[6a]C[6a]C)2(PC)	C(PC[6a]2S)(PC[6a])(SiC3)	P(C[6a]C[6a]2)(CSiP)	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(PC[6a]2S)(PC[6a])(SiC3)	107.4940	1.281	2	107.4940	1.642	2	107.4940	1.642	2	104.8400	10.231	4	104.2441	10.316	46	104.2441	10.316	46
940	643	930	0:SP-NON_SP2_SP2	P	C[6a]	C	3:3:	3:3:2:	4:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-2:	C[5]-4:C[6a]-3:P-2:	P(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(PC)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)2(PC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a])	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	104.2441	10.316	46	104.2441	10.316	46
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a,6a]-3:C[6a,6a]-3:P-2:	C[6a]-3:P-2:	P(C[6a]C[6a,6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PP)	P(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[6a,6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PP){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)(PC[6a])	99.7603	2.972	2	99.7603	8.834	2	99.7603	8.834	2	100.2281	13.189	7	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[5]-3:P-2:	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP)	P(C[5]N[5]2)(PC[6a])	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[5]N[5]2)(PC[6a])	95.1155	0.000	1	95.1155	0.000	1	95.1155	0.000	1	100.2281	13.189	7	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(PP)	P(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(PP){1|H<1>,4|C<3>}	P(C[6a]C[6a]2)(PC[6a])	102.6280	0.000	1	102.6280	0.000	1	101.7401	11.525	4	100.2281	13.189	7	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]C)2(PP)	P(C[6a]C[6a,6a]2)(PC[6a])	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]2)(PC[6a])	103.3090	3.558	2	103.3090	12.661	2	101.7401	11.525	4	100.2281	13.189	7	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]C)2(PP)	P(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a])	97.7146	0.000	1	97.7146	0.000	1	101.7401	11.525	4	100.2281	13.189	7	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	4:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[3x6]-4:P-2:	P(C[6a]C[6a]2)(PC[3x6])	C[6a](C[6a]C[6a]C)2(PP)	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	P(C[6a]C[6a]2)(PC[3x6])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	104.4990	1.312	2	104.4990	1.722	2	104.0125	0.937	4	102.4227	6.665	6	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	4:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[3x6]-4:P-2:	P(C[6a]C[6a]2)(PC[3x6])	C[6a](C[6a]C[6a]C)2(PP)	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	P(C[6a]C[6a]2)(PC[3x6])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	103.5260	0.376	2	103.5260	0.142	2	104.0125	0.937	4	102.4227	6.665	6	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	4:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[5]-4:P-2:	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP)	P(C[5]C[5]2Fe)(PC[6a])	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)(PC[6a])	98.9379	0.000	1	98.9379	0.000	1	99.2432	0.186	2	102.4227	6.665	6	101.2410	10.668	13	101.2410	10.668	13
940	643	940	0:SP-NON_SP-NON_SP2	P	C[6a]	P	3:2:	3:3:2:	4:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	C[5]-4:P-2:	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP)	P(C[5]C[5]2Ru)(PC[6a])	P(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(PP){1|C<3>,2|H<1>}	P(C[5]C[5]2Ru)(PC[6a])	99.5485	0.000	1	99.5485	0.000	1	99.2432	0.186	2	102.4227	6.665	6	101.2410	10.668	13	101.2410	10.668	13
940	643	945	0:SP-NON_SP2_SP3	P	C[6a]	P	3:3:	3:3:2:	3:3:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[5]-3:P-2:	P(C[6a]C[6a]2)(PC[6a]C[5])	C[6a](C[6a]C[6a]2)2(PP)	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	P(C[6a]C[6a]2)(PC[6a]C[5])	C[6a](C[6a]C[6a]2)2(PP){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1
940	643	951	0:SP-NON_SP-NON_SP2	P	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-2:	P-2:	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(PH)	H(PC[6a])	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(PH){2|H<1>,5|C<3>}	H(PC[6a])	99.8340	3.654	2	99.8340	13.354	2	99.4605	31.827	8	99.4605	31.827	8	99.4605	31.827	8	99.4605	31.827	8
940	643	951	0:SP-NON_SP-NON_SP2	P	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-2:	P-2:	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PH)	H(PC[6a])	P(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PH){1|C<3>,2|H<1>}	H(PC[6a])	99.3360	6.466	6	99.3360	41.812	6	99.4605	31.827	8	99.4605	31.827	8	99.4605	31.827	8	99.4605	31.827	8
940	643	979	0:SP-NON_SP2_SP2	P	C[6a]	Si	3:3:	3:3:2:	3:2:1:	C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:P-2:	N-3:P-2:H-1:	P(C[6a]C[6a]2)(SiHN)	C[6a](C[6a]C[6a]2)2(PSi)	Si(NC[6a]Si)(PC[6a])(H)	P(C[6a]C[6a]2)(SiHN)	C[6a](C[6a]C[6a]2)2(PSi){2|H<1>,5|C<3>}	Si(NC[6a]Si)(PC[6a])(H)	96.8531	0.000	1	96.8531	0.000	1	96.8531	0.000	1	96.8531	0.000	1	99.7733	63.227	3	99.7733	63.227	3
940	643	979	0:SP-NON_SP2_SP2	P	C[6a]	Si	3:3:	3:3:2:	3:3:2:	C[6a]-3:Si-3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(C[6a]C[5,6a]2)(SiC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(PSi)	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(PC[6a])	P(C[6a]C[5,6a]2)(SiC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(PSi){1|C<3>,8|C<4>}	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(PC[6a])	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	101.2334	113.662	2	99.7733	63.227	3	99.7733	63.227	3
940	643	979	0:SP-NON_SP2_SP2	P	C[6a]	Si	3:3:	3:3:2:	3:3:2:	C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[5]-3:P-2:	P(C[6a]C[6a]2)(SiC[6a]C[5])	C[6a](C[6a]C[6a]C)2(PSi)	Si(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	P(C[6a]C[6a]2)(SiC[6a]C[5])	C[6a](C[6a]C[6a]C)2(PSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	93.6947	0.000	1	93.6947	0.000	1	93.6947	0.000	1	101.2334	113.662	2	99.7733	63.227	3	99.7733	63.227	3
940	643	992	0:SP-NON_SP2_SP3	P	C[6a]	P	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-2:	P-2:C-4:C-4:C-4:	P(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]2)2(PP)	P(PC[6a])(CH3)3	P(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]2)2(PP){2|H<1>,5|C<3>}	P(PC[6a])(CH3)3	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	106.9260	4.431	5	106.9260	4.431	5
940	643	992	0:SP-NON_SP2_SP3	P	C[6a]	P	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:P-2:H-1:O-1:	P(C[6a]C[6a]2)(PC[6a]HO)	C[6a](C[6a]C[6a]2)2(PP)	P(C[6a]C[6a]2)(PC[6a])(H)(O)	P(C[6a]C[6a]2)(PC[6a]HO)	C[6a](C[6a]C[6a]2)2(PP){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)(PC[6a])(H)(O)	106.5422	2.219	4	106.5422	4.926	4	106.5422	4.926	4	106.5422	4.926	4	106.9260	4.431	5	106.9260	4.431	5
940	727	818	0:SP-NON_SP2_SP2	P	C[5a]	C[5]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[5]-3:	N[5a]-2:S[5a]-2:P-2:	N[5]-3:S[5]-2:P-2:	P(C[5a]N[5a]S[5a])(C[5]N[5]S[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[5])	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(PC[5a])	P(C[5a]N[5a]S[5a])(C[5]N[5]S[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[5]){2|C<3>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(PC[5a]){2|C<3>}	98.5918	0.000	1	98.5918	0.000	1	98.5918	0.000	1	98.5918	0.000	1	98.5918	0.000	1	98.5918	0.000	1
940	730	818	0:SP-NON_SP2_SP2	P	As	C[5]	3:3:	3:2:1:	3:3:2:	C[5]-3:As-3:	C[5]-3:P-2:Cl-1:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)(AsC[5]Cl)	As(C[5]N[5]2)(PC[5])(Cl)	C[5](N[5]C[6a]C[5])2(PAs)	P(C[5]N[5]2)(AsC[5]Cl)	As(C[5]N[5]2)(PC[5])(Cl)	C[5](N[5]C[6a]C[5])2(PAs){2|H<1>,4|C<3>}	100.5170	0.000	1	100.5170	0.000	1	100.5170	0.000	1	100.5170	0.000	1	100.5170	0.000	1	100.5170	0.000	1
940	790	956	0:SP-NON_SP-NON_SP2	P	Cl	N	3:1:	2:	4:4:2:	N-3:Cl-1:	P-2:	C-4:C-4:P-2:	P(NCC)(Cl)	Cl(PN)	N(CCCH)2(PCl)	P(NCC)(Cl)	Cl(PN)	N(CCCH)2(PCl)	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1
940	818	818	0:SP-NON_SP2_SP2	P	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:P-2:	N[5]-3:S[5]-2:P-2:	P(C[5]N[5]S[5])2	C[5](N[5]C[5,6a]Fe)(S[5]C[5,6a])(PC[5])	C[5](N[5]C[5,6a]Fe)(S[5]C[5,6a])(PC[5])	P(C[5]N[5]S[5])2	C[5](N[5]C[5,6a]Fe)(S[5]C[5,6a])(PC[5]){2|C<3>}	C[5](N[5]C[5,6a]Fe)(S[5]C[5,6a])(PC[5]){2|C<3>}	103.9155	0.120	4	103.9155	0.014	4	103.5770	0.584	5	103.5770	0.584	5	100.1246	7.161	16	100.1246	7.161	16
940	818	818	0:SP-NON_SP2_SP2	P	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:P-2:	N[5]-3:S[5]-2:P-2:	P(C[5]N[5]S[5])2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5])	C[5](N[5]C[5]C)(S[5]C[5])(PC[5])	P(C[5]N[5]S[5])2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]){2|C<4>}	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]){2|C<4>}	102.2230	0.000	1	102.2230	0.000	1	103.5770	0.584	5	103.5770	0.584	5	100.1246	7.161	16	100.1246	7.161	16
940	818	818	0:SP-NON_SP2_SP2	P	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:N[5]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)2	C[5](N[5]C[5,6a]C)2(PC[5])	C[5](N[5]C[5,6a]C)2(PC[5])	P(C[5]N[5]2)2	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	99.2777	0.544	5	99.2777	0.296	5	98.5553	1.840	11	98.5553	1.840	11	100.1246	7.161	16	100.1246	7.161	16
940	818	818	0:SP-NON_SP2_SP2	P	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:N[5]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)2	C[5](N[5]C[5]C)2(PC[5])	C[5](N[5]C[5]C)2(PC[5])	P(C[5]N[5]2)2	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	98.0688	1.734	5	97.9534	2.486	6	98.5553	1.840	11	98.5553	1.840	11	100.1246	7.161	16	100.1246	7.161	16
940	818	818	0:SP-NON_SP2_SP2	P	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:N[5]-3:P-2:	N[5]-3:N[5]-3:P-2:	P(C[5]N[5]2)2	C[5](N[5]C[5]C)2(PC[5])	C[5](N[5]C[5]C)2(PC[5])	P(C[5]N[5]2)2	C[5](N[5]C[5]C)2(PC[5]){2|H<1>}	C[5](N[5]C[5]C)2(PC[5]){2|H<1>}	97.3761	0.000	1	97.9534	2.486	6	98.5553	1.840	11	98.5553	1.840	11	100.1246	7.161	16	100.1246	7.161	16
940	818	852	0:SP-NON_SP2_SP3	P	C[5]	P[3]	3:3:	3:3:2:	3:3:2:	C[5]-3:P[3]-3:	N[5]-3:N[5]-3:P-2:	C[3]-3:C[3]-3:P-2:	P(C[5]N[5]2)(P[3]C[3]2)	C[5](N[5]C[6a]C[5])2(PP[3])	P[3](C[3]C[3]C)2(PC[5])	P(C[5]N[5]2)(P[3]C[3]2)	C[5](N[5]C[6a]C[5])2(PP[3]){2|H<1>,4|C<3>}	P[3](C[3]C[3]C)2(PC[5])	105.3945	0.134	2	105.3945	0.018	2	105.3945	0.018	2	104.4128	4.594	4	104.4128	4.594	4	104.4128	4.594	4
940	818	852	0:SP-NON_SP2_SP3	P	C[5]	P[3]	3:3:	3:3:2:	3:3:2:	P[3]-3:C[5]-3:	N[5]-3:N[5]-3:P-2:	P[3,5,6]-3:P[3,5,6]-3:P-2:	P(P[3]P[3,5,6]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(PP[3])	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5])	P(P[3]P[3,5,6]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(PP[3]){4|C<3>,4|H<1>}	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5]){3|P<3>}	105.6570	0.000	1	105.6570	0.000	1	105.6570	0.000	1	104.4128	4.594	4	104.4128	4.594	4	104.4128	4.594	4
940	818	852	0:SP-NON_SP2_SP3	P	C[5]	P[3]	3:3:	3:3:2:	3:3:2:	P[3]-3:C[5]-3:	N[5]-3:N[5]-3:P-2:	P[3,6]-3:P[3,6]-3:P-2:	P(P[3]P[3,6]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(PP[3])	P[3](P[3,6]P[3,6]C[6])2(PC[5])	P(P[3]P[3,6]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(PP[3]){4|C<3>,4|H<1>}	P[3](P[3,6]P[3,6]C[6])2(PC[5]){2|C<3>,4|H<1>}	101.2050	0.000	1	101.2050	0.000	1	101.2050	0.000	1	104.4128	4.594	4	104.4128	4.594	4	104.4128	4.594	4
940	818	856	0:SP-NON_SP2_SP3	P	C[5]	N[6]	3:3:	4:3:2:	4:4:2:	C[5]-3:N[6]-3:	C[5,6]-4:N[5]-3:P-2:	C[6]-4:C[6]-4:P-2:	P(C[5]C[5,6]N[5])(N[6]C[6]2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6])	N[6](C[6]C[6]CC)2(PC[5])	P(C[5]C[5,6]N[5])(N[6]C[6]2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]){2|C<3>,4|C<4>,6|H<1>}	N[6](C[6]C[6]CC)2(PC[5]){1|C<4>,4|H<1>}	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1
940	818	880	0:SP-NON_SP2_SP3	P	C[5]	Si	3:4:	3:4:2:	2:2:1:1:	C[5]-3:Si-4:	N[5]-3:C[5]-4:P-2:	P-2:P-2:Cl-1:Cl-1:	P(C[5]C[5]N[5])(SiCl2P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PSi)	Si(PC[5])2(Cl)2	P(C[5]C[5]N[5])(SiCl2P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PSi){2|C<3>,2|C<4>,2|H<1>}	Si(PC[5])2(Cl)2	111.4965	0.218	2	111.4965	0.048	2	111.4965	0.048	2	111.4965	0.048	2	111.4965	0.048	2	111.4965	0.048	2
940	818	882	0:SP-NON_SP2_SP3	P	C[5]	P[4]	3:3:	4:3:2:	3:3:2:	C[5]-3:P[4]-3:	C[5,6]-4:N[5]-3:P-2:	P[4]-3:P[4]-3:P-2:	P(C[5]C[5,6]N[5])(P[4]P[4]2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PP[4])	P[4](P[4]P[4]P)2(PC[5])	P(C[5]C[5,6]N[5])(P[4]P[4]2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PP[4]){2|C<3>,4|C<4>,6|H<1>}	P[4](P[4]P[4]P)2(PC[5]){1|P<2>}	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1
940	818	924	0:SP-NON_SP-NON_SP2	P	C[5]	Br	3:1:	3:3:2:	2:	C[5]-3:Br-1:	N[5]-3:N[5]-3:P-2:	P-2:	P(C[5]N[5]2)(Br)	C[5](N[5]C[6a]C[5])2(PBr)	Br(PC[5])	P(C[5]N[5]2)(Br)	C[5](N[5]C[6a]C[5])2(PBr){2|H<1>,4|C<3>}	Br(PC[5])	102.6350	0.000	1	102.6350	0.000	1	102.6350	0.000	1	102.6350	0.000	1	102.6350	0.000	1	102.6350	0.000	1
940	818	930	0:SP-NON_SP2_SP2	P	C[5]	C	3:3:	3:3:2:	2:4:3:	C[5]-3:C-3:	N[5]-3:N[5]-3:P-2:	P-2:C-4:C-3:	P(C[5]N[5]2)(CCC)	C[5](N[5]C[5]C)2(PC)	C(PC[5])(CC3)(CCP)	P(C[5]N[5]2)(CCC)	C[5](N[5]C[5]C)2(PC){2|C<4>}	C(PC[5])(CC3)(CCP)	108.4290	0.352	2	108.4290	0.124	2	108.4290	0.124	2	108.4290	0.124	2	108.5753	3.582	6	108.5753	3.582	6
940	818	930	0:SP-NON_SP2_SP2	P	C[5]	C	3:3:	3:4:2:	3:3:2:	C[5]-3:C-3:	N[5]-3:C[5]-4:P-2:	C[6a]-3:C[5]-3:P-2:	P(C[5]C[5]N[5])(CC[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC)	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	P(C[5]C[5]N[5])(CC[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	109.2415	0.653	2	109.2415	0.426	2	109.2415	0.426	2	109.2415	0.426	2	108.5753	3.582	6	108.5753	3.582	6
940	818	930	0:SP-NON_SP2_SP2	P	C[5]	C	3:3:	4:3:2:	3:3:2:	C[5]-3:C-3:	C[5,6]-4:N[5]-3:P-2:	C[6a]-3:C[5]-3:P-2:	P(C[5]C[5,6]N[5])(CC[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC)	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	P(C[5]C[5,6]N[5])(CC[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC){2|C<3>,4|C<4>,6|H<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	108.0555	3.986	2	108.0555	15.888	2	108.0555	15.888	2	108.0555	15.888	2	108.5753	3.582	6	108.5753	3.582	6
940	818	940	0:SP-NON_SP-NON_SP2	P	C[5]	P	3:2:	3:3:2:	2:2:	C[5]-3:P-2:	N[5]-3:N[5]-3:P-2:	P-2:P-2:	P(C[5]N[5]2)(PP)	C[5](N[5]C[6a]C[5])2(PP)	P(PC[5])2	P(C[5]N[5]2)(PP)	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	P(PC[5])2	105.4425	0.296	4	105.4425	0.087	4	105.4425	0.087	4	105.4425	0.087	4	102.8226	8.776	11	102.8226	8.776	11
940	818	940	0:SP-NON_SP-NON_SP2	P	C[5]	P	3:2:	3:3:2:	3:2:	C[5]-3:P-2:	N[5]-3:N[5]-3:P-2:	C[5]-3:P-2:	P(C[5]N[5]2)(PC[5])	C[5](N[5]C[6a]C[5])2(PP)	P(C[5]N[5]2)(PC[5])	P(C[5]N[5]2)(PC[5])	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	P(C[5]N[5]2)(PC[5])	100.7209	2.408	6	100.7209	5.799	6	100.7209	5.799	6	101.3255	7.392	7	102.8226	8.776	11	102.8226	8.776	11
940	818	940	0:SP-NON_SP-NON_SP2	P	C[5]	P	3:2:	3:3:2:	3:2:	C[5]-3:P-2:	N[5]-3:N[5]-3:P-2:	C[6a]-3:P-2:	P(C[5]N[5]2)(PC[6a])	C[5](N[5]C[6a]C[5])2(PP)	P(C[6a]C[6a]2)(PC[5])	P(C[5]N[5]2)(PC[6a])	C[5](N[5]C[6a]C[5])2(PP){2|Cl<1>,4|C<3>}	P(C[6a]C[6a]2)(PC[5])	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	101.3255	7.392	7	102.8226	8.776	11	102.8226	8.776	11
940	818	941	0:SP-NON_SP2_SP2	P	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:P-2:	C[6a]-3:P-2:	P(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]C)2(PN)	N(C[6a]C[6a]2)(PC[5])	P(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]C)2(PN){2|C<4>}	N(C[6a]C[6a]2)(PC[5])	105.0000	2.858	2	105.0000	8.169	2	105.0000	8.169	2	105.0000	8.169	2	105.0000	8.169	2	105.0000	8.169	2
940	818	945	0:SP-NON_SP2_SP3	P	C[5]	P	3:3:	3:3:2:	2:3:1:	C[5]-3:P-3:	N[5]-3:N[5]-3:P-2:	P-2:N-3:Cl-1:	P(C[5]N[5]2)(PClN)	C[5](N[5]C[6a]C[5])2(PP)	P(PC[5])(NCC)(Cl)	P(C[5]N[5]2)(PClN)	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	P(PC[5])(NCC)(Cl)	97.1389	0.000	1	97.1389	0.000	1	97.1389	0.000	1	97.1389	0.000	1	100.0527	19.702	5	100.0527	19.702	5
940	818	945	0:SP-NON_SP2_SP3	P	C[5]	P	3:3:	3:3:2:	3:2:1:	C[5]-3:P-3:	N[5]-3:N[5]-3:P-2:	C[5]-3:P-2:Br-1:	P(C[5]N[5]2)(PC[5]Br)	C[5](N[5]C[6a]C[5])2(PP)	P(C[5]N[5]2)(PC[5])(Br)	P(C[5]N[5]2)(PC[5]Br)	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	P(C[5]N[5]2)(PC[5])(Br)	98.1298	0.000	1	98.1298	0.000	1	98.1298	0.000	1	98.6418	6.639	3	100.0527	19.702	5	100.0527	19.702	5
940	818	945	0:SP-NON_SP2_SP3	P	C[5]	P	3:3:	3:3:2:	3:2:1:	C[5]-3:P-3:	N[5]-3:N[5]-3:P-2:	C[5]-3:P-2:Cl-1:	P(C[5]N[5]2)(PC[5]Cl)	C[5](N[5]C[6a]C[5])2(PP)	P(C[5]N[5]2)(PC[5])(Cl)	P(C[5]N[5]2)(PC[5]Cl)	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	P(C[5]N[5]2)(PC[5])(Cl)	101.4360	0.000	1	101.4360	0.000	1	101.4360	0.000	1	98.6418	6.639	3	100.0527	19.702	5	100.0527	19.702	5
940	818	945	0:SP-NON_SP2_SP3	P	C[5]	P	3:3:	3:3:2:	3:2:1:	C[5]-3:P-3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:P-2:Cl-1:	P(C[5]N[5]2)(PC[6a]Cl)	C[5](N[5]C[6a]C[5])2(PP)	P(C[6a]C[6a]2)(PC[5])(Cl)	P(C[5]N[5]2)(PC[6a]Cl)	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	P(C[6a]C[6a]2)(PC[5])(Cl)	96.3597	0.000	1	96.3597	0.000	1	96.3597	0.000	1	98.6418	6.639	3	100.0527	19.702	5	100.0527	19.702	5
940	818	945	0:SP-NON_SP2_SP3	P	C[5]	P	3:3:	3:3:2:	3:3:2:	P-3:C[5]-3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:P-2:	P(PC[6a]C[5])(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PP)	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	P(PC[6a]C[5])(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PP){2|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	100.0527	19.702	5	100.0527	19.702	5
940	818	951	0:SP-NON_SP-NON_SP2	P	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:P-2:	P-2:	P(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(PH)	H(PC[5])	P(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(PH){2|H<1>}	H(PC[5])	101.8210	0.000	1	101.8210	0.000	1	96.7753	14.009	4	96.7753	14.009	4	96.7753	14.009	4	96.7753	14.009	4
940	818	951	0:SP-NON_SP-NON_SP2	P	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:P-2:	P-2:	P(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(PH)	H(PC[5])	P(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(PH){2|H<1>,4|C<3>}	H(PC[5])	95.0934	2.010	3	95.0934	4.041	3	96.7753	14.009	4	96.7753	14.009	4	96.7753	14.009	4	96.7753	14.009	4
940	818	990	0:SP-NON_SP2_SP2	P	C[5]	As	3:2:	3:3:2:	2:2:	C[5]-3:As-2:	N[5]-3:N[5]-3:P-2:	P-2:P-2:	P(C[5]N[5]2)(AsP)	C[5](N[5]C[6a]C[5])2(PAs)	As(PC[5])2	P(C[5]N[5]2)(AsP)	C[5](N[5]C[6a]C[5])2(PAs){2|H<1>,4|C<3>}	As(PC[5])2	106.4856	0.783	5	106.4856	0.613	5	106.4856	0.613	5	106.4856	0.613	5	106.4856	0.613	5	106.4856	0.613	5
940	838	943	0:SP-NON_SP-NON_SP-NON	P	Ga[5]	Ga[6]	4:3:	3:3:2:	3:3:3:2:	Ga[6]-4:Ga[5]-3:	N[5]-3:N[5]-3:P-2:	N[6]-3:N[6]-3:N[6]-3:P-2:	P(Ga[6]N[6]3)(Ga[5]N[5]2)	Ga[5](N[5]C[5,5]C[6a])2(PGa[6])	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	P(Ga[6]N[6]3)(Ga[5]N[5]2)	Ga[5](N[5]C[5,5]C[6a])2(PGa[6]){6|C<3>}	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1
940	856	940	0:SP-NON_SP-NON_SP2	P	N[6]	P	3:2:	4:4:2:	3:2:	N[6]-3:P-2:	C[6]-4:C[6]-4:P-2:	N[6]-3:P-2:	P(N[6]C[6]2)(PN[6])	N[6](C[6]C[6]CC)2(PP)	P(N[6]C[6]2)(PN[6])	P(N[6]C[6]2)(PN[6])	N[6](C[6]C[6]CC)2(PP){1|C<4>,4|H<1>}	P(N[6]C[6]2)(PN[6])	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1
940	856	940	0:SP-NON_SP-NON_SP3	P	N[6]	P	3:2:	4:4:2:	3:2:	N[6]-3:P-2:	C[6]-4:C[6]-4:P-2:	N[6]-3:P-2:	P(N[6]C[6]2)(PN[6])	N[6](C[6]C[6]CC)2(PP)	P(N[6]C[6]2)(PN[6])	P(N[6]C[6]2)(PN[6])	N[6](C[6]C[6]CC)2(PP){1|C<4>,4|H<1>}	P(N[6]C[6]2)(PN[6])	100.1580	12.658	3	100.1580	160.220	3	100.1580	160.220	3	100.1580	160.220	3	100.1580	160.220	3	100.1580	160.220	3
940	856	956	0:SP-NON_SP2_SP2	P	N[6]	N	3:3:	4:4:2:	2:4:4:	N[6]-3:N-3:	C[6]-4:C[6]-4:P-2:	P-2:C-4:C-4:	P(N[6]C[6]2)(NCC)	N[6](C[6]C[6]CC)2(PN)	N(PN[6])(CCCH)2	P(N[6]C[6]2)(NCC)	N[6](C[6]C[6]CC)2(PN){1|C<4>,4|H<1>}	N(PN[6])(CCCH)2	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1
940	856	956	0:SP-NON_SP3_SP3	P	N[6]	N	3:3:	4:4:2:	2:4:4:	N[6]-3:N-3:	C[6]-4:C[6]-4:P-2:	P-2:C-4:C-4:	P(N[6]C[6]2)(NCC)	N[6](C[6]C[6]CC)2(PN)	N(PN[6])(CCCH)2	P(N[6]C[6]2)(NCC)	N[6](C[6]C[6]CC)2(PN){1|C<4>,4|H<1>}	N(PN[6])(CCCH)2	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1
940	880	880	0:SP-NON_SP3_SP3	P	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:P-2:	C-4:C-4:C-4:P-2:	P(SiC3)2	Si(CH3)3(PSi)	Si(CH3)3(PSi)	P(SiC3)2	Si(CH3)3(PSi)	Si(CH3)3(PSi)	101.7353	0.485	3	101.7353	0.235	3	101.7353	0.235	3	101.7353	0.235	3	101.7353	0.235	3	101.7353	0.235	3
940	880	940	0:SP-NON_SP-NON_SP3	P	Si	P	4:2:	4:4:4:2:	2:2:	Si-4:P-2:	C-4:C-4:C-4:P-2:	P-2:P-2:	P(SiC3)(PP)	Si(CC3)3(PP)	P(PSi)2	P(SiC3)(PP)	Si(CC3)3(PP)	P(PSi)2	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1
940	880	951	0:SP-NON_SP-NON_SP3	P	Si	H	4:1:	3:4:4:2:	2:	Si-4:H-1:	C[6a]-3:C-4:C-4:P-2:	P-2:	P(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CC3)2(PH)	H(PSi)	P(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CC3)2(PH)	H(PSi)	92.2732	0.000	1	92.2732	0.000	1	92.2732	0.000	1	92.2732	0.000	1	92.2732	0.000	1	92.2732	0.000	1
940	882	983	0:SP-NON_SP1_SP3	P	P[4]	C	3:2:	3:3:2:	3:2:	P[4]-3:C-2:	C[4]-3:C[4]-3:P-2:	C[5]-3:P-2:	P(P[4]C[4]2)(CC[5])	P[4](C[4]C[5]P[4])2(PC)	C(C[5]C[5]N[5])(PP[4])	P(P[4]C[4]2)(CC[5])	P[4](C[4]C[5]P[4])2(PC){2|C<4>,2|N<3>}	C(C[5]C[5]N[5])(PP[4])	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1
940	885	940	0:SP-NON_SP-NON_SP-NON	P	Ga[5]	P	4:2:	3:3:3:2:	4:2:	Ga[5]-4:P-2:	N[5]-3:N[5]-3:N[6]-3:P-2:	Ga[5]-4:P-2:	P(Ga[5]N[5]2N[6])(PGa[5])	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP)	P(Ga[5]N[5]2N[6])(PGa[5])	P(Ga[5]N[5]2N[6])(PGa[5])	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP){2|H<1>,8|C<3>}	P(Ga[5]N[5]2N[6])(PGa[5])	99.0381	0.000	1	99.0381	0.000	1	99.0381	0.000	1	99.0381	0.000	1	99.0381	0.000	1	99.0381	0.000	1
940	885	983	0:SP-NON_SP-NON_SP1	P	Ga[5]	C	4:2:	3:3:3:2:	2:1:	Ga[5]-4:C-2:	N[5]-3:N[5]-3:C[5]-3:P-2:	P-2:O-1:	P(Ga[5]C[5]N[5]2)(CO)	Ga[5](N[5]C[5,5]C[6a])2(C[5]C[5]N[5])(PC)	C(PGa[5])(O)	P(Ga[5]C[5]N[5]2)(CO)	Ga[5](N[5]C[5,5]C[6a])2(C[5]C[5]N[5])(PC){1|H<1>,1|N<3>,8|C<3>}	C(PGa[5])(O)	91.0215	0.000	1	91.0215	0.000	1	89.3881	5.336	2	88.1302	7.415	3	88.1302	7.415	3	88.1302	7.415	3
940	885	983	0:SP-NON_SP-NON_SP1	P	Ga[5]	C	4:2:	3:3:3:2:	2:1:	Ga[5]-4:C-2:	N[5]-3:N[5]-3:C[5]-3:P-2:	P-2:O-1:	P(Ga[5]C[5]N[5]2)(CO)	Ga[5](N[5]C[5,5]C[6a])2(C[5]N[5]2)(PC)	C(PGa[5])(O)	P(Ga[5]C[5]N[5]2)(CO)	Ga[5](N[5]C[5,5]C[6a])2(C[5]N[5]2)(PC){2|C<4>,8|C<3>}	C(PGa[5])(O)	87.7548	0.000	1	87.7548	0.000	1	89.3881	5.336	2	88.1302	7.415	3	88.1302	7.415	3	88.1302	7.415	3
940	885	983	0:SP-NON_SP-NON_SP1	P	Ga[5]	C	4:2:	3:3:3:2:	2:1:	Ga[5]-4:C-2:	N[5]-3:N[5]-3:N[6]-3:P-2:	P-2:O-1:	P(Ga[5]N[5]2N[6])(CO)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PC)	C(PGa[5])(O)	P(Ga[5]N[5]2N[6])(CO)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PC){2|H<1>,8|C<3>}	C(PGa[5])(O)	85.6142	0.000	1	85.6142	0.000	1	85.6142	0.000	1	88.1302	7.415	3	88.1302	7.415	3	88.1302	7.415	3
940	885	992	0:SP-NON_SP-NON_SP3	P	Ga[5]	P	4:4:	3:3:3:2:	2:4:4:4:	Ga[5]-4:P-4:	N[5]-3:N[5]-3:N[6]-3:P-2:	P-2:C-4:C-4:C-4:	P(Ga[5]N[5]2N[6])(PC3)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP)	P(PGa[5])(CH3)3	P(Ga[5]N[5]2N[6])(PC3)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP){2|H<1>,8|C<3>}	P(PGa[5])(CH3)3	100.8870	0.000	1	100.8870	0.000	1	100.8870	0.000	1	100.8870	0.000	1	100.8870	0.000	1	100.8870	0.000	1
940	893	941	0:SP-NON_SP2_SP2	P	O	N	2:2:	3:2:	3:2:	N-2:O-2:	C-3:P-2:	C[6a]-3:P-2:	P(NC[6a])(OC)	O(CNN)(PN)	N(C[6a]C[6a]2)(PO)	P(NC[6a])(OC)	O(CNN)(PN)	N(C[6a]C[6a]2)(PO)	105.7190	0.000	1	105.7190	0.000	1	105.7190	0.000	1	105.7190	0.000	1	105.7190	0.000	1	105.7190	0.000	1
940	893	956	0:SP-NON_SP2_SP3	P	O	N	3:2:	4:2:	4:4:2:	N-3:O-2:	Si-4:P-2:	Si-4:Si-4:P-2:	P(NSi2)(OSi)	O(SiC3)(PN)	N(SiC3)2(PO)	P(NSi2)(OSi)	O(SiC3)(PN)	N(SiC3)2(PO)	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1
940	893	983	0:SP-NON_SP1_SP3	P	O	C	2:2:	4:2:	3:2:	C-2:O-2:	Si-4:P-2:	C[5]-3:P-2:	P(CC[5])(OSi)	O(SiC[6a]3)(PC)	C(C[5]N[5]2)(PO)	P(CC[5])(OSi)	O(SiC[6a]3)(PC)	C(C[5]N[5]2)(PO)	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1
940	909	941	0:SP-NON_SP2_SP2	P	S	N	2:2:	3:2:	3:2:	N-2:S-2:	C[5]-3:P-2:	C[6a]-3:P-2:	P(NC[6a])(SC[5])	S(C[5]N[5]2)(PN)	N(C[6a]C[6a]2)(PS)	P(NC[6a])(SC[5])	S(C[5]N[5]2)(PN)	N(C[6a]C[6a]2)(PS)	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1
940	930	930	0:SP-NON_SP2_SP2	P	C	C	3:3:	2:2:2:	2:2:2:	C-3:C-3:	O-2:O-2:P-2:	O-2:O-2:P-2:	P(COO)2	C(OSi)(OB)(PC)	C(OSi)2(PC)	P(COO)2	C(OSi)(OB)(PC)	C(OSi)2(PC)	101.0820	0.000	1	101.0820	0.000	1	101.0820	0.000	1	101.0820	0.000	1	105.8715	45.879	2	105.8715	45.879	2
940	930	930	0:SP-NON_SP2_SP2	P	C	C	3:3:	3:2:2:	4:4:2:	C-3:C-3:	N[6]-3:N-2:P-2:	Si-4:Si-4:P-2:	P(CN[6]N)(CSi2)	C(N[6]C[6]2)(NP)(PC)	C(SiC3)2(PC)	P(CN[6]N)(CSi2)	C(N[6]C[6]2)(NP)(PC)	C(SiC3)2(PC)	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	105.8715	45.879	2	105.8715	45.879	2
940	930	951	0:SP-NON_SP-NON_SP2	P	C	H	3:1:	3:4:2:	2:	C-3:H-1:	Ge[6]-3:C-4:P-2:	P-2:	P(CGe[6]C)(H)	C(Ge[6]N[6]2)(CC3)(PH)	H(PC)	P(CGe[6]C)(H)	C(Ge[6]N[6]2)(CC3)(PH)	H(PC)	99.8397	0.000	1	99.8397	0.000	1	99.8397	0.000	1	99.8397	0.000	1	99.8397	0.000	1	99.8397	0.000	1
940	930	983	0:SP-NON_SP1_SP2	P	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	B[5a]-3:N-2:P-2:	P-2:O-1:	P(CB[5a]N)(CO)	C(B[5a]N[5a]2)(NC[6a])(PC)	C(PC)(O)	P(CB[5a]N)(CO)	C(B[5a]N[5a]2)(NC[6a])(PC)	C(PC)(O)	96.6670	0.000	1	96.6670	0.000	1	96.6670	0.000	1	96.6670	0.000	1	101.0880	39.090	2	101.0880	39.090	2
940	930	983	0:SP-NON_SP1_SP2	P	C	C	3:2:	3:2:2:	2:2:	C-3:C-2:	B[5a]-3:N-2:P-2:	N-2:P-2:	P(CB[5a]N)(CN)	C(B[5a]N[5a]2)(NC[6a])(PC)	C(NC[6a])(PC)	P(CB[5a]N)(CN)	C(B[5a]N[5a]2)(NC[6a])(PC)	C(NC[6a])(PC)	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	101.0880	39.090	2	101.0880	39.090	2
940	940	940	0:SP-NON_SP-NON_SP-NON	P	P	P	2:2:	2:1:	2:1:	P-2:P-2:	P-2:H-1:	P-2:H-1:	P(PH)2	P(PP)(H)	P(PP)(H)	P(PH)2	P(PP)(H)	P(PP)(H)	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	99.7820	101.135	4	99.7820	101.135	4
940	940	940	0:SP-NON_SP-NON_SP-NON	P	P	P	2:2:	3:2:	3:2:	P-2:P-2:	C[5]-3:P-2:	C[5]-3:P-2:	P(PC[5])2	P(C[5]N[5]2)(PP)	P(C[5]N[5]2)(PP)	P(PC[5])2	P(C[5]N[5]2)(PP)	P(C[5]N[5]2)(PP)	91.6435	1.576	2	91.6435	2.483	2	91.6435	2.483	2	91.6435	2.483	2	99.7820	101.135	4	99.7820	101.135	4
940	940	940	0:SP-NON_SP-NON_SP-NON	P	P	P	2:2:	4:2:	4:2:	P-2:P-2:	Si-4:P-2:	Si-4:P-2:	P(PSi)2	P(SiC3)(PP)	P(SiC3)(PP)	P(PSi)2	P(SiC3)(PP)	P(SiC3)(PP)	103.6790	0.000	1	103.6790	0.000	1	103.6790	0.000	1	103.6790	0.000	1	99.7820	101.135	4	99.7820	101.135	4
940	940	951	0:SP-NON_SP-NON_SP-NON	P	P	H	2:1:	2:2:	2:	P-2:H-1:	P-2:P-2:	P-2:	P(PP)(H)	P(PH)2	H(PP)	P(PP)(H)	P(PH)2	H(PP)	111.4185	3.522	2	111.4185	12.405	2	111.4185	12.405	2	111.4185	12.405	2	111.4185	12.405	2	111.4185	12.405	2
940	940	956	0:SP-NON_SP-NON_SP2	P	P	N	3:2:	3:2:	4:3:2:	N-3:P-2:	N-3:P-2:	Si-4:N-3:P-2:	P(NSiN)(PN)	P(NSiN)(PN)	N(SiC3)(NSi2)(PP)	P(NSiN)(PN)	P(NSiN)(PN)	N(SiC3)(NSi2)(PP)	103.4260	0.000	1	103.4260	0.000	1	103.4260	0.000	1	103.4260	0.000	1	103.4260	0.000	1	103.4260	0.000	1
940	940	956	0:SP-NON_SP-NON_SP3	P	P	N	3:2:	3:2:	4:3:2:	N-3:P-2:	N-3:P-2:	Si-4:N-3:P-2:	P(NSiN)(PN)	P(NSiN)(PN)	N(SiC3)(NSi2)(PP)	P(NSiN)(PN)	P(NSiN)(PN)	N(SiC3)(NSi2)(PP)	103.3790	0.000	1	103.3790	0.000	1	103.3790	0.000	1	103.3790	0.000	1	103.3790	0.000	1	103.3790	0.000	1
940	941	956	0:SP-NON_SP2_SP2	P	N	N	3:2:	2:2:	4:4:2:	N-3:N-2:	C-2:P-2:	Si-4:Si-4:P-2:	P(NSi2)(NC)	N(CS)(PN)	N(SiC3)2(PN)	P(NSi2)(NC)	N(CS)(PN)	N(SiC3)2(PN)	103.7960	0.000	1	103.7960	0.000	1	103.7960	0.000	1	102.1815	5.213	2	100.2377	13.941	3	100.2377	13.941	3
940	941	956	0:SP-NON_SP2_SP2	P	N	N	3:2:	2:2:	4:4:2:	N-3:N-2:	N-2:P-2:	C-4:C-4:P-2:	P(NCC)(NN)	N(NN)(PN)	N(CCCH)2(PN)	P(NCC)(NN)	N(NN)(PN)	N(CCCH)2(PN)	100.5670	0.000	1	100.5670	0.000	1	100.5670	0.000	1	102.1815	5.213	2	100.2377	13.941	3	100.2377	13.941	3
940	941	956	0:SP-NON_SP2_SP2	P	N	N	3:2:	3:2:	3:2:2:	N-3:N-2:	C[6a]-3:P-2:	C[6a]-3:Ge-2:P-2:	P(NC[6a]Ge)(NC[6a])	N(C[6a]C[6a]2)(PN)	N(C[6a]C[6a]2)(GeN)(PN)	P(NC[6a]Ge)(NC[6a])	N(C[6a]C[6a]2)(PN)	N(C[6a]C[6a]2)(GeN)(PN)	96.3502	0.000	1	96.3502	0.000	1	96.3502	0.000	1	96.3502	0.000	1	100.2377	13.941	3	100.2377	13.941	3
940	941	956	0:SP-NON_SP2_SP3	P	N	N	2:3:	3:2:	4:3:2:	N-2:N-3:	C[6a]-3:P-2:	Si-4:N-3:P-2:	P(NC[6a])(NSiN)	N(C[6a]C[6a]2)(PN)	N(SiC3)(NSi2)(PN)	P(NC[6a])(NSiN)	N(C[6a]C[6a]2)(PN)	N(SiC3)(NSi2)(PN)	104.2260	0.000	1	104.2260	0.000	1	104.2260	0.000	1	104.2260	0.000	1	103.9360	0.168	2	103.9360	0.168	2
940	941	956	0:SP-NON_SP2_SP3	P	N	N	3:2:	2:2:	4:4:2:	N-3:N-2:	C-2:P-2:	Si-4:Si-4:P-2:	P(NSi2)(NC)	N(CO)(PN)	N(SiC3)2(PN)	P(NSi2)(NC)	N(CO)(PN)	N(SiC3)2(PN)	103.6460	0.000	1	103.6460	0.000	1	103.6460	0.000	1	103.6460	0.000	1	103.9360	0.168	2	103.9360	0.168	2
940	945	951	0:SP-NON_SP-NON_SP3	P	P	H	3:1:	2:1:1:	2:	P-3:H-1:	P-2:H-1:P-1:	P-2:	P(PHP)(H)	P(PH)(H)(P)	H(PP)	P(PHP)(H)	P(PH)(H)(P)	H(PP)	93.8624	0.000	1	93.8624	0.000	1	93.8624	0.000	1	93.8624	0.000	1	100.9675	63.087	4	100.9675	63.087	4
940	945	951	0:SP-NON_SP-NON_SP3	P	P	H	3:1:	2:2:1:	2:	P-3:H-1:	P-2:P-2:H-1:	P-2:	P(PHP)(H)	P(PH)2(H)	H(PP)	P(PHP)(H)	P(PH)2(H)	H(PP)	96.6456	0.000	1	96.6456	0.000	1	96.6456	0.000	1	103.3359	60.975	3	100.9675	63.087	4	100.9675	63.087	4
940	945	951	0:SP-NON_SP-NON_SP3	P	P	H	3:1:	2:2:1:	2:	P-3:H-1:	P-2:P-2:P-1:	P-2:	P(PPP)(H)	P(PH)2(P)	H(PP)	P(PPP)(H)	P(PH)2(P)	H(PP)	106.6810	7.403	2	106.6810	54.810	2	106.6810	54.810	2	103.3359	60.975	3	100.9675	63.087	4	100.9675	63.087	4
940	979	979	0:SP-NON_SP2_SP2	P	Si	Si	3:3:	3:3:2:	3:3:2:	Si-3:Si-3:	C[5]-3:C-3:P-2:	C[6a]-3:C[6a]-3:P-2:	P(SiC[6a]2)(SiC[5]C)	Si(C[5]N[5]2)(CSiC)(PSi)	Si(C[6a]C[6a]2)2(PSi)	P(SiC[6a]2)(SiC[5]C)	Si(C[5]N[5]2)(CSiC)(PSi)	Si(C[6a]C[6a]2)2(PSi)	92.1737	0.000	1	92.1737	0.000	1	92.1737	0.000	1	92.1737	0.000	1	92.1737	0.000	1	92.1737	0.000	1
940	983	983	0:SP-NON_SP1_SP1	P	C	C	2:2:	2:1:	2:1:	C-2:C-2:	P-2:O-1:	P-2:O-1:	P(CO)2	C(PC)(O)	C(PC)(O)	P(CO)2	C(PC)(O)	C(PC)(O)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
940	992	992	0:SP-NON_SP3_SP3	P	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:P-2:	C[6a]-3:C[6a]-3:N-2:P-2:	P(PC[6a]2N)2	P(C[6a]C[6a]2)2(NP)(PP)	P(C[6a]C[6a]2)2(NP)(PP)	P(PC[6a]2N)2	P(C[6a]C[6a]2)2(NP)(PP)	P(C[6a]C[6a]2)2(NP)(PP)	95.4376	0.000	1	95.4376	0.000	1	95.4376	0.000	1	95.4376	0.000	1	120.7977	1280.238	8	120.7977	1280.238	8
940	992	992	0:SP-NON_SP3_SP3	P	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C[5]-3:P-2:	C[6a]-3:C[6a]-3:C[5]-3:P-2:	P(PC[6a]2C[5])2	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	P(PC[6a]2C[5])2	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	100.8220	0.000	1	100.8220	0.000	1	100.8220	0.000	1	127.8475	1546.683	6	120.7977	1280.238	8	120.7977	1280.238	8
940	992	992	0:SP-NON_SP3_SP3	P	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	P(PC[6a]3)2	P(C[6a]C[6a]2)3(PP)	P(C[6a]C[6a]2)3(PP)	P(PC[6a]3)2	P(C[6a]C[6a]2)3(PP)	P(C[6a]C[6a]2)3(PP)	140.3992	44.104	4	140.3992	1945.157	4	140.3992	1945.157	4	127.8475	1546.683	6	120.7977	1280.238	8	120.7977	1280.238	8
940	992	992	0:SP-NON_SP3_SP3	P	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	N-3:N-3:N-3:P-2:	N-3:N-3:N-3:P-2:	P(PN3)2	P(NCC)3(PP)	P(NCC)3(PP)	P(PN3)2	P(NCC)3(PP)	P(NCC)3(PP)	104.6660	0.000	1	104.6660	0.000	1	104.6660	0.000	1	127.8475	1546.683	6	120.7977	1280.238	8	120.7977	1280.238	8
940	992	992	0:SP-NON_SP3_SP3	P	P	P	4:4:	4:4:4:2:	4:4:4:2:	P-4:P-4:	C[6]-4:C[6]-4:C-4:P-2:	C[6]-4:C[6]-4:C-4:P-2:	P(PC[6]2C)2	P(C[6]C[6]2H)2(CH3)(PP)	P(C[6]C[6]2H)2(CH3)(PP)	P(PC[6]2C)2	P(C[6]C[6]2H)2(CH3)(PP)	P(C[6]C[6]2H)2(CH3)(PP)	103.8590	0.000	1	103.8590	0.000	1	103.8590	0.000	1	103.8590	0.000	1	120.7977	1280.238	8	120.7977	1280.238	8
941	2	643	0:SP2_SP2_SP2	N	B[5]	C[6a]	3:3:	3:3:2:	3:3:2:	B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	C[6a](C[6a]C[6a]C)2(NB[5])	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NB[5]){1|C<3>,2|H<1>}	126.0000	0.000	1	126.0000	0.000	1	126.0000	0.000	1	126.0000	0.000	1	131.3600	57.459	2	131.3600	57.459	2
941	2	643	0:SP2_SP2_SP2	N	B[5]	C[6a]	3:3:	3:4:2:	3:3:2:	B[5]-3:C[6a]-3:	N[5]-3:C[5]-4:N-2:	C[6a]-3:C[6a]-3:N-2:	N(B[5]C[5]N[5])(C[6a]C[6a]2)	B[5](N[5]C[6a]C[5])(C[5]C[5]2C)(NC[6a])	C[6a](C[6a]C[6a]C)2(NB[5])	N(B[5]C[5]N[5])(C[6a]C[6a]2)	B[5](N[5]C[6a]C[5])(C[5]C[5]2C)(NC[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C)2(NB[5]){1|C<3>,2|H<1>}	136.7200	0.000	1	136.7200	0.000	1	136.7200	0.000	1	136.7200	0.000	1	131.3600	57.459	2	131.3600	57.459	2
941	3	941	0:SP2_SP2_SP2	N	B[5a]	N	3:2:	2:2:2:	2:1:	B[5a]-3:N-2:	O[5a]-2:O[5a]-2:N-2:	N-2:N-1:	N(B[5a]O[5a]2)(NN)	B[5a](O[5a]C[5a,6a])2(NN)	N(NB[5a])(N)	N(B[5a]O[5a]2)(NN)	B[5a](O[5a]C[5a,6a])2(NN){2|C<3>}	N(NB[5a])(N)	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1
941	3	983	0:SP2_SP1_SP2	N	B[5a]	C	3:2:	3:3:2:	2:1:	B[5a]-3:C-2:	N[5a]-3:N[5a]-3:N-2:	N-2:O-1:	N(B[5a]N[5a]2)(CO)	B[5a](N[5a]C[5a]C[6a])2(NC)	C(NB[5a])(O)	N(B[5a]N[5a]2)(CO)	B[5a](N[5a]C[5a]C[6a])2(NC){2|H<1>,4|C<3>}	C(NB[5a])(O)	159.4070	0.000	1	159.4070	0.000	1	159.4070	0.000	1	159.4070	0.000	1	159.4070	0.000	1	159.4070	0.000	1
941	3	996	0:SP2_SP2_SP3	N	B[5a]	Si[4,5]	4:3:	3:3:2:	4:4:3:2:	Si[4,5]-4:B[5a]-3:	N[5a]-3:N[5a]-3:N-2:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	N(Si[4,5]N[4,5]2N[5])(B[5a]N[5a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi[4,5])	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	N(Si[4,5]N[4,5]2N[5])(B[5a]N[5a]2)	B[5a](N[5a]C[5a]C[6a])2(NSi[4,5]){2|H<1>,4|C<3>}	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	171.5110	0.000	1	171.5110	0.000	1	171.5110	0.000	1	171.5110	0.000	1	171.5110	0.000	1	171.5110	0.000	1
941	6	941	0:SP2_SP2_SP2	N	As[4]	N	3:2:	3:3:2:	2:1:	As[4]-3:N-2:	N[4]-3:N[4]-3:N-2:	N-2:N-1:	N(As[4]N[4]2)(NN)	As[4](N[4]As[4]C[6a])2(NN)	N(NAs[4])(N)	N(As[4]N[4]2)(NN)	As[4](N[4]As[4]C[6a])2(NN){4|C<3>}	N(NAs[4])(N)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1
941	10	941	0:SP2_SP2_SPD6	N	P	N	6:2:	2:2:2:2:2:2:	2:1:	P-6:N-2:	N-2:N-2:N-2:N-2:N-2:N-2:	N-2:N-1:	N(PN5)(NN)	P(NN)6	N(NP)(N)	N(PN5)(NN)	P(NN)6	N(NP)(N)	117.8053	0.319	3	117.8053	0.102	3	117.8053	0.102	3	117.8053	0.102	3	117.8053	0.102	3	117.8053	0.102	3
941	18	930	0:SP2_SP2_SPD6	N	B[5x3,5x5,20x6]	C	6:3:	6:6:6:6:6:2:	2:4:1:	B[5x3,5x5,20x6]-6:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	N-2:C-4:O-1:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NC)	C(NB[5x3,5x5,20x6])(CH3)(O)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NC){1|B<6>,5|H<1>}	C(NB[5x3,5x5,20x6])(CH3)(O)	127.5640	1.585	2	127.5640	2.513	2	127.5640	2.513	2	127.5640	2.513	2	127.5640	2.513	2	127.5640	2.513	2
941	18	941	0:SP2_SP2_SPD6	N	B[5x3,5x5,20x6]	N	6:2:	6:6:6:6:6:2:	2:3:	B[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	N-2:C[6a]-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(NC[6a])	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(NC[6a])	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	112.8336	0.746	5	112.8336	0.557	5	112.8336	0.557	5	112.8336	0.557	5	112.8336	0.557	5	112.8336	0.557	5
941	58	930	0:SP2_SP2_SP3	N	S[5]	C	3:3:	3:3:2:	3:3:2:	S[5]-3:C-3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(S[5]C[5,6a]2)(CC[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])2(NC)	C(C[6a]C[6a]2)2(NS[5])	N(S[5]C[5,6a]2)(CC[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])2(NC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(NS[5])	113.9320	0.678	3	113.9320	0.460	3	113.9320	0.460	3	113.9320	0.460	3	113.9320	0.460	3	113.9320	0.460	3
941	58	952	0:SP2_SP3_SP3	N	S[5]	S	3:4:	3:3:2:	3:2:4:1:	S[5]-3:S-4:	C[5,6a]-3:C[5,6a]-3:N-2:	C[6a]-3:N-2:C-4:O-1:	N(S[5]C[5,6a]2)(SC[6a]CO)	S[5](C[5,6a]C[5,6a]C[6a])2(NS)	S(C[6a]C[6a]2)(NS[5])(CH3)(O)	N(S[5]C[5,6a]2)(SC[6a]CO)	S[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NS[5])(CH3)(O)	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1
941	58	992	0:SP2_SP3_SP3	N	S[5]	P	3:4:	2:2:2:	3:3:3:2:	S[5]-3:P-4:	N[5]-2:S[5]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(S[5]N[5]S[5])(PC[6a]3)	S[5](N[5]C[5,6a])(S[5]C[5,6a])(NP)	P(C[6a]C[6a]2)3(NS[5])	N(S[5]N[5]S[5])(PC[6a]3)	S[5](N[5]C[5,6a])(S[5]C[5,6a])(NP){2|C<3>}	P(C[6a]C[6a]2)3(NS[5])	131.4703	1.455	3	131.4703	2.118	3	131.4703	2.118	3	130.9840	2.358	4	130.9840	2.358	4	130.9840	2.358	4
941	58	992	0:SP2_SP3_SP3	N	S[5]	P	3:4:	2:2:2:	3:3:3:2:	S[5]-3:P-4:	Se[5]-2:N[5]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(S[5]Se[5]N[5])(PC[6a]3)	S[5](Se[5]C[5,6a])(N[5]C[5,6a])(NP)	P(C[6a]C[6a]2)3(NS[5])	N(S[5]Se[5]N[5])(PC[6a]3)	S[5](Se[5]C[5,6a])(N[5]C[5,6a])(NP){2|C<3>}	P(C[6a]C[6a]2)3(NS[5])	129.5250	0.000	1	129.5250	0.000	1	129.5250	0.000	1	130.9840	2.358	4	130.9840	2.358	4	130.9840	2.358	4
941	70	643	0:SP2_SP-NON_SP2	N	P	C[6a]	3:1:	2:	3:3:2:	C[6a]-3:P-1:	N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(P)	P(NC[6a])	C[6a](C[6a]C[6a]C)2(NP)	N(C[6a]C[6a]2)(P)	P(NC[6a])	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	164.9780	0.808	2	164.9780	0.652	2	164.9780	0.652	2	164.9780	0.652	2	164.9780	0.652	2	164.9780	0.652	2
941	74	863	0:SP2_SP2_SP2	N	N[4]	O	3:1:	4:4:2:	2:	N[4]-3:O-1:	C[4]-4:C[4]-4:N-2:	N-2:	N(N[4]C[4]2)(O)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(NO)	O(NN[4])	N(N[4]C[4]2)(O)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(NO){2|H<1>}	O(NN[4])	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1
941	74	901	0:SP2_SP1_SP2	N	N[4]	N	3:1:	4:4:2:	2:	N[4]-3:N-1:	B[4]-4:B[4]-4:N-2:	N-2:	N(N[4]B[4]2)(N)	N[4](B[4]C[6a]2N[4])2(NN)	N(NN[4])	N(N[4]B[4]2)(N)	N[4](B[4]C[6a]2N[4])2(NN){1|N<2>,8|C<3>}	N(NN[4])	177.4770	0.000	1	177.4770	0.000	1	177.4770	0.000	1	178.6202	1.299	4	178.6202	1.299	4	178.6202	1.299	4
941	74	901	0:SP2_SP1_SP2	N	N[4]	N	3:1:	4:4:2:	2:	N[4]-3:N-1:	Ga[4]-4:Ga[4]-4:N-2:	N-2:	N(N[4]Ga[4]2)(N)	N[4](Ga[4]C[5]N[4]N)2(NN)	N(NN[4])	N(N[4]Ga[4]2)(N)	N[4](Ga[4]C[5]N[4]N)2(NN){1|N<2>,2|C<4>,4|C<3>}	N(NN[4])	177.8030	0.000	1	177.8030	0.000	1	179.0013	1.077	3	178.6202	1.299	4	178.6202	1.299	4	178.6202	1.299	4
941	74	901	0:SP2_SP1_SP2	N	N[4]	N	3:1:	4:4:2:	2:	N[4]-3:N-1:	Ga[4]-4:Ga[4]-4:N-2:	N-2:	N(N[4]Ga[4]2)(N)	N[4](Ga[4]C[6a]2N[4])2(NN)	N(NN[4])	N(N[4]Ga[4]2)(N)	N[4](Ga[4]C[6a]2N[4])2(NN){1|N<2>,8|C<3>}	N(NN[4])	179.6005	0.016	2	179.6005	0.000	2	179.0013	1.077	3	178.6202	1.299	4	178.6202	1.299	4	178.6202	1.299	4
941	74	930	0:SP2_SP2_SP2	N	N[4]	C	3:3:	3:3:2:	3:2:1:	N[4]-3:C-3:	C[4]-3:C[4]-3:N-2:	C[6a]-3:N-2:O-1:	N(N[4]C[4]2)(CC[6a]O)	N[4](C[4]C[4]O)2(NC)	C(C[6a]C[6a]2)(NN[4])(O)	N(N[4]C[4]2)(CC[6a]O)	N[4](C[4]C[4]O)2(NC){2|C<4>}	C(C[6a]C[6a]2)(NN[4])(O)	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	122.9958	28.861	4	122.9958	28.861	4
941	74	930	0:SP2_SP2_SP2	N	N[4]	C	3:3:	4:4:2:	2:4:4:	N[4]-3:C-3:	C[4,5,6]-4:C[4]-4:N-2:	N-2:C-4:C-4:	N(N[4]C[4,5,6]C[4])(CCC)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]CC)(NC)	C(NN[4])(CF3)2	N(N[4]C[4,5,6]C[4])(CCC)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]CC)(NC){2|H<1>,3|C<4>}	C(NN[4])(CF3)2	127.8590	0.000	1	127.8590	0.000	1	127.6415	0.095	2	127.6415	0.095	2	122.9958	28.861	4	122.9958	28.861	4
941	74	930	0:SP2_SP2_SP2	N	N[4]	C	3:3:	4:4:2:	2:4:4:	N[4]-3:C-3:	C[4,5,6]-4:C[4]-4:N-2:	N-2:C-4:C-4:	N(N[4]C[4,5,6]C[4])(CCC)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C[3x3]C)(NC)	C(NN[4])(CF3)2	N(N[4]C[4,5,6]C[4])(CCC)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C[3x3]C)(NC){1|F<1>,1|F<3>,2|H<1>,3|C<4>,4|F<2>}	C(NN[4])(CF3)2	127.4240	0.000	1	127.4240	0.000	1	127.6415	0.095	2	127.6415	0.095	2	122.9958	28.861	4	122.9958	28.861	4
941	74	930	0:SP2_SP2_SP2	N	N[4]	C	3:3:	5:5:2:	2:4:1:	N[4]-3:C-3:	Si[4,4]-5:Si[4,4]-5:N-2:	N-2:Si-4:H-1:	N(N[4]Si[4,4]2)(CSiH)	N[4](Si[4,4]N[4]3Cl)2(NC)	C(NN[4])(SiC3)(H)	N(N[4]Si[4,4]2)(CSiH)	N[4](Si[4,4]N[4]3Cl)2(NC){1|N<2>,2|C<3>,4|C<4>}	C(NN[4])(SiC3)(H)	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	122.9958	28.861	4	122.9958	28.861	4
941	82	983	0:SP2_SP1_SPD5	N	Ga[5,5]	C	5:2:	3:3:2:2:2:	2:1:	Ga[5,5]-5:C-2:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:N-2:	N-2:S-1:	N(Ga[5,5]N[5]2O[5]2)(CS)	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC)	C(NGa[5,5])(S)	N(Ga[5,5]N[5]2O[5]2)(CS)	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC){8|C<3>}	C(NGa[5,5])(S)	168.4835	3.040	2	168.4835	9.241	2	168.4835	9.241	2	168.4835	9.241	2	168.4835	9.241	2	168.4835	9.241	2
941	217	901	0:SP2_SP1_SP2	N	N[6a]	N	3:1:	4:4:2:	2:	N[6a]-3:N-1:	B[6a]-4:B[6a]-4:N-2:	N-2:	N(N[6a]B[6a]2)(N)	N[6a](B[6a]C[6a]N[6a]N)2(NN)	N(NN[6a])	N(N[6a]B[6a]2)(N)	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	N(NN[6a])	178.8563	0.512	3	178.8563	0.262	3	178.8563	0.262	3	178.8563	0.262	3	178.8563	0.262	3	178.8563	0.262	3
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	2:4:4:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:	N(N[6a]C[6a]2)(CCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	C(NN[6a])(CH3)2	N(N[6a]C[6a]2)(CCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	C(NN[6a])(CH3)2	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	115.2227	0.694	9	115.2227	0.694	9
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	3:2:1:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[6a]C[6a]2)(CC[5a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C(C[5a]C[5a]S[5a])(NN[6a])(H)	N(N[6a]C[6a]2)(CC[5a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C(C[5a]C[5a]S[5a])(NN[6a])(H)	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	114.8290	0.167	4	115.2227	0.694	9	115.2227	0.694	9
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	3:2:1:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	C(C[6a]C[6a]2)(NN[6a])(H)	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	C(C[6a]C[6a]2)(NN[6a])(H)	115.0510	0.000	1	115.0510	0.000	1	115.0257	0.018	3	114.8290	0.167	4	115.2227	0.694	9	115.2227	0.694	9
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	3:2:1:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]2)(NN[6a])(H)	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C(C[6a]C[6a]2)(NN[6a])(H)	115.0130	0.187	2	115.0130	0.035	2	115.0257	0.018	3	114.8290	0.167	4	115.2227	0.694	9	115.2227	0.694	9
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	3:2:4:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C(C[6a]C[6a]2)(NN[6a])(CH3)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C(C[6a]C[6a]2)(NN[6a])(CH3)	116.4580	0.686	2	116.4580	0.470	2	115.7080	1.118	4	115.7080	1.118	4	115.2227	0.694	9	115.2227	0.694	9
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	3:2:4:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]2)(NN[6a])(CH3)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(NN[6a])(CH3)	114.3950	0.000	1	114.3950	0.000	1	115.7080	1.118	4	115.7080	1.118	4	115.2227	0.694	9	115.2227	0.694	9
941	217	930	0:SP2_SP2_SP2	N	N[6a]	C	3:3:	3:3:2:	3:2:4:	N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	115.5210	0.000	1	115.5210	0.000	1	115.7080	1.118	4	115.7080	1.118	4	115.2227	0.694	9	115.2227	0.694	9
941	217	941	0:SP2_SP2_SP2	N	N[6a]	N	3:2:	3:3:2:	3:2:	N[6a]-3:N-2:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a]-3:N-2:	N(N[6a]C[6a,6a]B[6a])(NC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	N(C[6a]C[6a]2)(NN[6a])	N(N[6a]C[6a,6a]B[6a])(NC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	N(C[6a]C[6a]2)(NN[6a])	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1
941	217	952	0:SP2_SP2_SP3	N	N[6a]	S	3:4:	3:3:2:	3:2:1:1:	N[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(N[6a]C[6a]2)(SC[6a]OO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	S(C[6a]C[6a]2)(NN[6a])(O)2	N(N[6a]C[6a]2)(SC[6a]OO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	S(C[6a]C[6a]2)(NN[6a])(O)2	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	110.4743	2.967	3	110.4743	2.967	3
941	217	952	0:SP2_SP2_SP3	N	N[6a]	S	3:4:	3:3:2:	3:2:4:1:	N[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:O-1:	N(N[6a]C[6a]2)(SC[6a]CO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	S(C[6a]C[6a]2)(NN[6a])(CC3)(O)	N(N[6a]C[6a]2)(SC[6a]CO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NN[6a])(CC3)(O)	109.4830	0.192	2	109.4830	0.037	2	109.4830	0.037	2	109.4830	0.037	2	110.4743	2.967	3	110.4743	2.967	3
941	218	941	0:SP2_SP2_SPD6	N	Ge[3x6]	N	6:2:	3:3:3:2:2:2:	2:1:	Ge[3x6]-6:N-2:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:N-2:N-2:N-2:	N-2:N-1:	N(Ge[3x6]N[5,6,6]3NN)(NN)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3	N(NGe[3x6])(N)	N(Ge[3x6]N[5,6,6]3NN)(NN)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3{1|B<4>,3|C<4>,6|C<3>}	N(NGe[3x6])(N)	118.3180	2.110	3	118.3180	4.452	3	118.3180	4.452	3	118.3180	4.452	3	118.3180	4.452	3	118.3180	4.452	3
941	246	941	0:SP2_SP2_SP3	N	P[5]	N	3:2:	3:3:2:	2:1:	P[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:N-1:	N(P[5]N[5]2)(NN)	P[5](N[5]C[6a]C[5])2(NN)	N(NP[5])(N)	N(P[5]N[5]2)(NN)	P[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N(NP[5])(N)	112.9900	0.000	1	114.6375	5.429	2	114.6375	5.429	2	114.6375	5.429	2	114.6375	5.429	2	114.6375	5.429	2
941	246	941	0:SP2_SP2_SP3	N	P[5]	N	3:2:	3:3:2:	2:1:	P[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:N-1:	N(P[5]N[5]2)(NN)	P[5](N[5]C[6a]C[5])2(NN)	N(NP[5])(N)	N(P[5]N[5]2)(NN)	P[5](N[5]C[6a]C[5])2(NN){4|C<3>,4|H<1>}	N(NP[5])(N)	116.2850	0.000	1	114.6375	5.429	2	114.6375	5.429	2	114.6375	5.429	2	114.6375	5.429	2	114.6375	5.429	2
941	254	880	0:SP2_SP3_SP3	N	Ge[6]	Si	4:4:	3:3:3:2:	2:4:4:4:	Ge[6]-4:Si-4:	N[6]-3:N[6]-3:N-3:N-2:	N-2:C-4:C-4:C-4:	N(Ge[6]N[6]2N)(SiC3)	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi)	Si(NGe[6])(CH3)3	N(Ge[6]N[6]2N)(SiC3)	Ge[6](N[6]C[6a]C[6])2(NSiH)(NSi){1|C<4>,6|C<3>}	Si(NGe[6])(CH3)3	134.7370	0.000	1	134.7370	0.000	1	134.7370	0.000	1	134.7370	0.000	1	134.7370	0.000	1	134.7370	0.000	1
941	278	941	0:SP2_SP2_SP2	N	Ge[6]	N	3:2:	3:3:2:	2:1:	Ge[6]-3:N-2:	C[5,6]-3:C[5,6]-3:N-2:	N-2:N-1:	N(Ge[6]C[5,6]2)(NN)	Ge[6](C[5,6]N[5,6]N[5])2(NN)	N(NGe[6])(N)	N(Ge[6]C[5,6]2)(NN)	Ge[6](C[5,6]N[5,6]N[5])2(NN){1|C<4>,6|C<3>}	N(NGe[6])(N)	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	119.4103	12.189	4	119.4103	12.189	4	119.4103	12.189	4
941	278	941	0:SP2_SP2_SP2	N	Ge[6]	N	3:2:	3:3:2:	2:1:	Ge[6]-3:N-2:	N[6]-3:N[6]-3:N-2:	N-2:N-1:	N(Ge[6]N[6]2)(NN)	Ge[6](N[6]C[6a]C[6])2(NN)	N(NGe[6])(N)	N(Ge[6]N[6]2)(NN)	Ge[6](N[6]C[6a]C[6])2(NN){2|C<4>,5|C<3>}	N(NGe[6])(N)	121.0817	1.234	3	121.0817	1.522	3	121.0817	1.522	3	119.4103	12.189	4	119.4103	12.189	4	119.4103	12.189	4
941	310	930	0:SP2_SP2_SP3	N	Ge	C	4:3:	2:2:1:1:	3:3:2:	Ge-4:C-3:	N-2:N-2:Cl-1:Cl-1:	N-3:N-3:N-2:	N(GeCl2N)(CNN)	Ge(NC)2(Cl)2	C(NCC)2(NGe)	N(GeCl2N)(CNN)	Ge(NC)2(Cl)2	C(NCC)2(NGe)	129.0755	0.798	2	129.0755	0.637	2	129.0755	0.637	2	129.0755	0.637	2	128.2504	22.657	5	128.2504	22.657	5
941	310	930	0:SP2_SP2_SP3	N	Ge	C	4:3:	3:2:2:2:	2:1:1:	Ge-4:C-3:	C[6a]-3:S-2:S-2:N-2:	N-2:H-1:H-1:	N(GeC[6a]SS)(CHH)	Ge(C[6a]C[6a]2)(SC[6a])2(NC)	C(NGe)(H)2	N(GeC[6a]SS)(CHH)	Ge(C[6a]C[6a]2)(SC[6a])2(NC)	C(NGe)(H)2	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	128.2504	22.657	5	128.2504	22.657	5
941	310	930	0:SP2_SP2_SP3	N	Ge	C	4:3:	3:3:2:2:	3:3:2:	Ge-4:C-3:	N-3:N-3:N-2:N-2:	N-3:N-3:N-2:	N(GeN3)(CNN)	Ge(NCC)2(NC)2	C(NCC)2(NGe)	N(GeN3)(CNN)	Ge(NCC)2(NC)2	C(NCC)2(NGe)	131.4050	2.318	2	131.4050	5.373	2	131.4050	5.373	2	131.4050	5.373	2	128.2504	22.657	5	128.2504	22.657	5
941	310	941	0:SP2_SP2_SP3	N	Ge	N	4:2:	2:2:1:1:	2:1:	Ge-4:N-2:	N-2:N-2:Cl-1:Cl-1:	N-2:N-1:	N(GeCl2N)(NN)	Ge(NN)2(Cl)2	N(NGe)(N)	N(GeCl2N)(NN)	Ge(NN)2(Cl)2	N(NGe)(N)	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1
941	362	490	0:SP2_SP3_SPD6	N	C[5x3,5x5,5x6]	C	6:4:	6:6:6:6:6:2:	2:4:4:4:	C[5x3,5x5,5x6]-6:C-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:N-2:	N-2:C-4:C-4:C-4:	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NC)	C(NC[5x3,5x5,5x6])(CH3)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NC){1|Fe<10>,5|H<1>}	C(NC[5x3,5x5,5x6])(CH3)3	126.5500	0.000	1	126.5500	0.000	1	126.5500	0.000	1	126.5500	0.000	1	126.5500	0.000	1	126.5500	0.000	1
941	362	863	0:SP2_SP2_SPD6	N	C[5x3,5x5,20x6]	O	6:1:	6:6:6:6:6:2:	2:	C[5x3,5x5,20x6]-6:O-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	N-2:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Si)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NO)	O(NC[5x3,5x5,20x6])	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Si)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NO){1|B<6>,5|H<1>}	O(NC[5x3,5x5,20x6])	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1
941	362	899	0:SP2_SP-NON_SPD6	N	C[5x3,5x5,20x6]	C	6:1:	6:6:6:6:6:2:	2:	C[5x3,5x5,20x6]-6:C-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	N-2:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(NC)	C(NC[5x3,5x5,20x6])	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(NC){1|B<6>,5|H<1>}	C(NC[5x3,5x5,20x6])	176.3720	0.000	1	176.3720	0.000	1	176.3720	0.000	1	176.3720	0.000	1	176.3720	0.000	1	176.3720	0.000	1
941	362	941	0:SP2_SP2_SPD6	N	C[5x3,5x5,20x6]	N	6:2:	6:6:6:6:6:2:	2:2:	C[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	N-2:N-2:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NN)	N(NC[5x3,5x5,20x6])(NP)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NN){1|B<6>,2|C<3>,5|H<1>}	N(NC[5x3,5x5,20x6])(NP)	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	112.4312	1.802	6	112.4312	1.802	6
941	362	941	0:SP2_SP2_SPD6	N	C[5x3,5x5,20x6]	N	6:2:	6:6:6:6:6:2:	2:3:	C[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	N-2:C[6a]-3:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(NN)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(NN){1|B<6>,5|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	112.9002	0.603	5	112.4312	1.802	6	112.4312	1.802	6
941	362	941	0:SP2_SP2_SPD6	N	C[5x3,5x5,20x6]	N	6:2:	6:6:6:6:6:2:	2:3:	C[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	N-2:C[6a]-3:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	112.6857	0.705	4	112.6857	0.497	4	112.6857	0.497	4	112.9002	0.603	5	112.4312	1.802	6	112.4312	1.802	6
941	366	941	0:SP2_SP2_SPD5	N	P[3,3]	N	5:2:	5:3:2:2:2:	2:1:	P[3,3]-5:N-2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	N-2:N-1:	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	N(NP[3,3])(N)	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	N(NP[3,3])(N)	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1
941	394	643	0:SP2_SP2_SPD5	N	P[5,5]	C[6a]	5:3:	3:3:3:2:1:	3:3:2:	P[5,5]-5:C[6a]-3:	N[5,5]-3:N[5]-3:N[5]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(NP[5,5])	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H){4|C<3>}	C[6a](C[6a]C[6a]C)2(NP[5,5]){1|C<3>,2|H<1>}	127.6720	0.000	1	127.6720	0.000	1	127.6720	0.000	1	127.6720	0.000	1	127.6720	0.000	1	127.6720	0.000	1
941	394	941	0:SP2_SP2_SPD5	N	P[3x5]	N	5:2:	4:3:3:3:2:	2:1:	P[3x5]-5:N-2:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:N-2:	N-2:N-1:	N(P[3x5]N[3x5]N[5]3)(NN)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN)	N(NP[3x5])(N)	N(P[3x5]N[3x5]N[5]3)(NN)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN){12|H<1>}	N(NP[3x5])(N)	123.7375	0.810	2	123.7375	0.656	2	123.7375	0.656	2	123.7375	0.656	2	123.7375	0.656	2	124.1070	0.737	3
941	394	941	0:SP2_SP2_SPD5	N	P[5]	N	5:2:	3:2:2:2:2:	2:1:	P[5]-5:N-2:	N[5]-3:O[5]-2:O-2:O-2:N-2:	N-2:N-1:	N(P[5]N[5]O[5]OO)(NN)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN)	N(NP[5])(N)	N(P[5]N[5]O[5]OO)(NN)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN){1|O<2>}	N(NP[5])(N)	124.8460	0.000	1	124.8460	0.000	1	124.8460	0.000	1	124.8460	0.000	1	124.8460	0.000	1	124.1070	0.737	3
941	394	983	0:SP2_SP1_SPD5	N	P[5]	C	5:2:	2:2:2:2:2:	2:1:	P[5]-5:C-2:	O[5]-2:O[5]-2:O-2:O-2:N-2:	N-2:S-1:	N(P[5]O[5]2OO)(CS)	P[5](O[5]C[5,6a])2(OC[6a])2(NC)	C(NP[5])(S)	N(P[5]O[5]2OO)(CS)	P[5](O[5]C[5,6a])2(OC[6a])2(NC){2|C<3>}	C(NP[5])(S)	171.5130	0.000	1	171.5130	0.000	1	171.5130	0.000	1	171.5130	0.000	1	155.5920	506.956	2	155.5920	506.956	2
941	394	983	0:SP2_SP1_SPD5	N	P[5]	C	5:2:	3:2:2:2:2:	2:1:	P[5]-5:C-2:	N[5]-3:O[5]-2:O-2:O-2:N-2:	N-2:S-1:	N(P[5]N[5]O[5]OO)(CS)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC)	C(NP[5])(S)	N(P[5]N[5]O[5]OO)(CS)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC){1|O<2>}	C(NP[5])(S)	139.6710	0.000	1	139.6710	0.000	1	139.6710	0.000	1	139.6710	0.000	1	155.5920	506.956	2	155.5920	506.956	2
941	442	901	0:SP2_SP1_SPD5	N	B[4x3,4x5,4x6]	N	5:1:	6:6:6:6:2:	2:	B[4x3,4x5,4x6]-5:N-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:N-2:	N-2:	N(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(N)	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(NN)	N(NB[4x3,4x5,4x6])	N(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(N)	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(NN){1|B<5>,4|H<1>}	N(NB[4x3,4x5,4x6])	178.0670	0.471	2	178.0670	0.222	2	178.0670	0.222	2	178.0670	0.222	2	178.0670	0.222	2	178.0670	0.222	2
941	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:	3:2:4:2:	2:4:1:1:	C[6]-4:C-4:	N[6]-3:O[6]-2:C-4:N-2:	N-2:C-4:H-1:H-1:	N(C[6]N[6]O[6]C)(CCHH)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	C(NC[6])(CCHH)(H)2	N(C[6]N[6]O[6]C)(CCHH)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	C(NC[6])(CCHH)(H)2	114.2970	0.000	1	114.2970	0.000	1	114.2970	0.000	1	114.2970	0.000	1	114.0540	0.118	2	114.0540	0.118	2
941	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:N-2:H-1:	C-4:N-2:H-1:H-1:	N(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(NC)(H)	C(CN[6]HH)(NC[6])(H)2	N(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CN[6]HH)(NC[6])(H)2	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	114.0540	0.118	2	114.0540	0.118	2
941	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	123.3050	2.325	4	123.3050	2.325	4
941	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,1|C<4>,1|H<1>}	124.5930	0.000	1	124.5930	0.000	1	124.5930	0.000	1	124.5930	0.000	1	123.3050	2.325	4	123.3050	2.325	4
941	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NC[6])	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]){1|C<3>,2|H<1>}	123.5255	1.493	2	123.5255	2.228	2	123.5255	2.228	2	123.5255	2.228	2	123.3050	2.325	4	123.3050	2.325	4
941	466	727	0:SP2_SP2_SP3	N	C[3x6]	C[5a]	3:4:	4:4:4:2:	3:3:2:	C[5a]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[5a,5a]-3:C[5a,6a]-3:N-2:	N(C[5a]C[5a,5a]C[5a,6a])(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(NC[3x6])	N(C[5a]C[5a,5a]C[5a,6a])(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]){3|C<4>,3|H<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(NC[3x6]){1|H<1>,4|C<3>}	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	124.9740	0.000	1	122.1773	3.180	6
941	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:	4:4:2:1:	3:2:2:	C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:S[5a]-2:N-2:	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(NC[6])	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(NC[6]){1|C<3>,1|N<2>}	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	120.9915	1.413	2	121.6180	1.629	5	122.1773	3.180	6
941	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:	4:4:2:1:	3:2:2:	C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5a]-3:N[5a]-2:N-2:	N(C[5a]N[5a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6])	N(C[5a]N[5a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6]){1|H<1>,2|C<3>,2|C<4>}	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	120.9915	1.413	2	121.6180	1.629	5	122.1773	3.180	6
941	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:	4:4:2:1:	3:3:2:	C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6])	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	122.0357	1.897	3	121.6180	1.629	5	122.1773	3.180	6
941	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:	4:4:2:1:	3:3:2:	C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6])	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.7130	0.000	1	122.7130	0.000	1	121.5820	2.558	2	122.0357	1.897	3	121.6180	1.629	5	122.1773	3.180	6
941	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:	4:4:2:1:	3:3:2:	C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6])	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6]){1|H<1>,1|O<1>,2|C<4>}	120.4510	0.000	1	120.4510	0.000	1	121.5820	2.558	2	122.0357	1.897	3	121.6180	1.629	5	122.1773	3.180	6
941	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	3:4:	4:4:2:1:	2:3:2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	O[6]-2:C[6]-3:N-2:	N(C[6]C[6]O[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6])	N(C[6]C[6]O[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6]){2|C<3>,2|C<4>}	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	122.6603	5.668	7	122.6603	5.668	7
941	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	3:4:	4:4:2:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5a,6]-3:O[6]-2:N-2:	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6])	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6]){1|N<2>,4|C<3>}	122.0470	0.000	1	122.0470	0.000	1	122.0470	0.000	1	122.0470	0.000	1	122.6603	5.668	7	122.6603	5.668	7
941	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	3:4:	4:4:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	P[6]-3:N[6]-3:N-2:	N(C[6]N[6]P[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6])	N(C[6]N[6]P[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	120.6585	0.118	2	120.6585	0.014	2	120.6585	0.014	2	120.6585	0.014	2	122.6603	5.668	7	122.6603	5.668	7
941	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6])	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,2|C<4>}	125.3880	0.000	1	125.3880	0.000	1	125.9640	0.664	2	125.9640	0.664	2	122.6603	5.668	7	122.6603	5.668	7
941	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6])	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]){1|C<3>,1|F<1>,1|O<1>}	126.5400	0.000	1	126.5400	0.000	1	125.9640	0.664	2	125.9640	0.664	2	122.6603	5.668	7	122.6603	5.668	7
941	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:	4:4:2:1:	4:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:N-2:	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[5,6]CC)(C[6]O[6]N)(NC[6])	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]O[6]N)(NC[6]){2|C<3>}	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	122.6603	5.668	7	122.6603	5.668	7
941	466	769	0:SP2_SP2_SP3	N	C[6]	C[4a]	3:4:	4:4:2:1:	3:3:2:	C[4a]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[4a]-3:N[4a]-3:N-2:	N(C[4a]N[4a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4a])(H)	C[4a](N[4a]C[4a]C[6])2(NC[6])	N(C[4a]N[4a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4a])(H){1|C<4>,4|H<1>}	C[4a](N[4a]C[4a]C[6])2(NC[6]){1|N<2>,2|H<1>,4|C<4>}	119.6940	0.554	2	119.6940	0.307	2	119.6940	0.307	2	119.6940	0.307	2	119.6940	0.307	2	119.6940	0.307	2
941	466	818	0:SP2_SP2_SP3	N	C[3x6]	C[5]	4:3:	4:4:4:2:	4:2:2:	C[3x6]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[5]-4:O[5]-2:N-2:	N(C[3x6]C[6,6]3)(C[5]C[5]O[5])	C[3x6](C[6,6]C[3x6]HH)3(NC[5])	C[5](C[5]N[5,5a]C[6a]2)(O[5]C[5,5a])(NC[3x6])	N(C[3x6]C[6,6]3)(C[5]C[5]O[5])	C[3x6](C[6,6]C[3x6]HH)3(NC[5]){3|C<4>,3|H<1>}	C[5](C[5]N[5,5a]C[6a]2)(O[5]C[5,5a])(NC[3x6]){1|N<2>,5|C<3>}	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	3:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-3:C[6]-4:N-2:H-1:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6])	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6]){1|O<1>,2|H<1>}	118.1480	0.000	1	118.1480	0.000	1	118.2908	0.437	4	118.2908	0.437	4	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	3:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-3:C[6]-4:N-2:H-1:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6])	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6]){1|O<1>,2|C<3>,2|H<1>}	118.3383	0.801	3	118.3383	0.642	3	118.2908	0.437	4	118.2908	0.437	4	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	2:3:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	O[5]-2:C[5]-3:N-2:	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(NC[6])	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]C)(NC[6]){1|O<2>,2|C<3>}	121.5050	0.144	2	121.5050	0.021	2	120.0167	6.656	3	120.0167	6.656	3	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	2:3:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	O[5]-2:C[5]-3:N-2:	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](O[5]C[5,6])(C[5]C[5]C)(NC[6])	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(NC[6]){1|C<4>,2|C<3>}	117.0400	0.000	1	117.0400	0.000	1	120.0167	6.656	3	120.0167	6.656	3	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5,6]-3:O[5]-2:N-2:	N(C[5]C[5,6]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6])	N(C[5]C[5,6]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6]){1|C<3>,1|C<4>,1|O<1>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	119.0827	3.692	7	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6])	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]){1|H<1>,1|N<3>,2|C<3>}	117.9405	0.231	2	117.9405	0.053	2	117.9405	0.053	2	119.0827	3.692	7	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:O[5]-2:N-2:	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](C[5]C[5]C)(O[5]C[5])(NC[6])	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6]){1|C<4>,2|C<3>}	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	119.0827	3.692	7	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5,5]-3:Se[5]-2:N-2:	N(C[5]N[5,5]Se[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6])	N(C[5]N[5,5]Se[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6]){1|N<3>,2|C<3>}	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	119.0827	3.692	7	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5]-3:O[5]-2:N-2:	N(C[5]N[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](N[5]C[5,6]C[6])(O[5]C[5,6])(NC[6])	N(C[5]N[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](N[5]C[5,6]C[6])(O[5]C[5,6])(NC[6]){1|C<3>,1|H<1>,3|C<4>}	120.0250	0.000	1	120.0250	0.000	1	120.0250	0.000	1	119.0827	3.692	7	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6])	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6]){1|C<4>,1|H<1>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	119.0827	3.692	7	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:3:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6])	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6]){2|C<3>,2|H<1>}	121.4495	2.211	2	121.4495	4.889	2	121.4495	4.889	2	122.3843	2.843	4	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	3:3:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[5]-3:C[5]-3:N-2:	N(C[5]C[5]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6])	N(C[5]C[5]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6]){1|C<2>,1|O<1>,2|C<3>}	123.3190	0.382	2	123.3190	0.146	2	123.3190	0.146	2	122.3843	2.843	4	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:	4:4:2:1:	6:3:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C[6])(NC[6])	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C[6])(NC[6]){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	4:3:	4:2:2:1:	3:2:2:	C[6]-4:C[5]-3:	C[6]-4:O[6]-2:N-2:H-1:	N[5]-3:S[5]-2:N-2:	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	C[5](N[5]C[5]N)(S[5]C[5])(NC[6])	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[5](N[5]C[5]N)(S[5]C[5])(NC[6]){1|O<1>,2|H<1>}	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	120.4171	8.135	21	120.6901	9.387	22
941	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[5]-3:N-2:	N(C[6]C[6]2H)(C[5]C[5]2)	C[6](C[6]C[6]HH)2(NC[5])(H)	C[5](C[5]C[5,6]C)2(NC[6])	N(C[6]C[6]2H)(C[5]C[5]2)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)2(NC[6]){1|C<3>,1|C<4>,1|O<2>}	127.2720	0.000	1	127.2720	0.000	1	127.2720	0.000	1	127.2720	0.000	1	120.4171	8.135	21	120.6901	9.387	22
941	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	3:4:	4:4:2:1:	3:2:2:	C[4]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[4]-3:O[4]-2:N-2:	N(C[4]N[4]O[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H)	C[4](N[4]C[6a]Si[4])(O[4]Si[4])(NC[6])	N(C[4]N[4]O[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]Si[4])(O[4]Si[4])(NC[6]){1|Ni<4>,1|O<2>,2|C<3>}	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.8503	9.068	6	117.8503	9.068	6
941	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	3:4:	4:4:2:1:	4:3:2:	C[4]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	B[3,4]-4:C[4]-3:N-2:	N(C[4]B[3,4]C[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H)	C[4](B[3,4]C[3]N[3]N[4])(C[4]N[4]Cr)(NC[6])	N(C[4]B[3,4]C[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[4](B[3,4]C[3]N[3]N[4])(C[4]N[4]Cr)(NC[6]){1|Fe<8>,2|C<4>}	116.2695	0.841	2	116.2695	0.707	2	116.2695	0.707	2	118.0180	11.124	5	117.8503	9.068	6	117.8503	9.068	6
941	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	3:4:	4:4:2:1:	4:3:2:	C[4]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[4,5]-4:N[4]-3:N-2:	N(C[4]C[4,5]N[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H)	C[4](C[4,5]B[4]C[5]N[5])(N[4]B[4]C[6])(NC[6])	N(C[4]C[4,5]N[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[4](C[4,5]B[4]C[5]N[5])(N[4]B[4]C[6])(NC[6]){1|B<3>,1|C<3>,1|H<1>,6|C<4>}	123.9110	0.000	1	123.9110	0.000	1	123.9110	0.000	1	118.0180	11.124	5	117.8503	9.068	6	117.8503	9.068	6
941	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	3:4:	4:4:2:1:	4:3:2:	C[4]-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[4]-4:N[4]-3:N-2:	N(C[4]C[4]N[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C[6])(NC[6])	N(C[4]C[4]N[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C[6])(NC[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	116.8200	0.276	2	116.8200	0.076	2	116.8200	0.076	2	118.0180	11.124	5	117.8503	9.068	6	117.8503	9.068	6
941	466	849	0:SP2_SP3_SP3	N	C[6]	P[3x6]	4:4:	4:4:2:1:	3:3:3:2:	P[3x6]-4:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	N(P[3x6]N[6,6]3)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NP[3x6])(H)	P[3x6](N[6,6]C[6,6]C)3(NC[6])	N(P[3x6]N[6,6]3)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NP[3x6])(H){1|C<4>,2|H<1>,2|N<2>}	P[3x6](N[6,6]C[6,6]C)3(NC[6]){1|C<4>,6|H<1>}	133.3457	2.156	3	133.3457	4.647	3	133.3457	4.647	3	133.3457	4.647	3	133.3457	4.647	3	127.5144	15.614	14
941	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:	4:4:2:1:	2:2:2:2:	C[6]-4:P[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-2:N[6]-2:N-2:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H)	P[6](N[6]P[6])2(NC[6])2	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6])2{1|N<3>,2|N<2>,2|O<1>}	126.4760	1.421	2	124.9377	6.921	6	124.9377	6.921	6	124.9377	6.921	6	125.9241	6.386	11	127.5144	15.614	14
941	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:	4:4:2:1:	2:2:2:2:	C[6]-4:P[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-2:N[6]-2:N-2:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H)	P[6](N[6]P[6])2(NC[6])2	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6])2{2|O<1>,3|N<2>}	124.1685	2.915	4	124.9377	6.921	6	124.9377	6.921	6	124.9377	6.921	6	125.9241	6.386	11	127.5144	15.614	14
941	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:	4:4:2:1:	2:2:3:2:	C[6]-4:P[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-2:N[6]-2:N-3:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	127.1750	0.443	2	126.0423	3.947	3	126.0423	3.947	3	126.0423	3.947	3	125.9241	6.386	11	127.5144	15.614	14
941	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:	4:4:2:1:	2:2:3:2:	C[6]-4:P[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-2:N[6]-2:N-3:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	123.7770	0.000	1	126.0423	3.947	3	126.0423	3.947	3	126.0423	3.947	3	125.9241	6.386	11	127.5144	15.614	14
941	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:	4:4:2:1:	3:2:3:2:	C[6]-4:P[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-3:N[6]-2:N-3:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	128.7060	0.000	2	128.7060	0.000	2	128.7060	0.000	2	128.7060	0.000	2	125.9241	6.386	11	127.5144	15.614	14
941	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:	4:4:2:2:	2:	C[6]-4:O-1:	C[6]-4:C[6]-4:N-2:O-2:	N-2:	N(C[6]C[6]2O)(O)	C[6](C[6]C[6]HH)2(NO)(OC)	O(NC[6])	N(C[6]C[6]2O)(O)	C[6](C[6]C[6]HH)2(NO)(OC){1|C<4>,4|H<1>}	O(NC[6])	114.4490	0.000	1	114.4490	0.000	1	114.0113	0.161	4	114.0113	0.161	4	114.0113	0.161	4	114.0113	0.161	4
941	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:	4:4:2:2:	2:	C[6]-4:O-1:	C[6]-4:C[6]-4:N-2:O-2:	N-2:	N(C[6]C[6]2O)(O)	C[6](C[6]O[6]HH)2(NO)(OC)	O(NC[6])	N(C[6]C[6]2O)(O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	O(NC[6])	113.8653	0.337	3	113.8653	0.114	3	114.0113	0.161	4	114.0113	0.161	4	114.0113	0.161	4	114.0113	0.161	4
941	466	887	0:SP2_SP3_SP3	N	C[6]	S	4:3:	3:3:4:2:	2:4:1:	C[6]-4:S-3:	C[6]-3:C[6]-3:C-4:N-2:	N-2:C-4:O-1:	N(C[6]C[6]2C)(SCO)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	S(NC[6])(CC3)(O)	N(C[6]C[6]2C)(SCO)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	S(NC[6])(CC3)(O)	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	114.7193	0.476	3	114.7193	0.476	3
941	466	887	0:SP2_SP3_SP3	N	C[6]	S	4:3:	3:4:2:1:	2:4:1:	C[6]-4:S-3:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[5a,6]C[6,6]H)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	S(NC[6])(CC3)(O)	N(C[6]C[5a,6]C[6,6]H)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	S(NC[6])(CC3)(O)	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	114.7193	0.476	3	114.7193	0.476	3
941	466	887	0:SP2_SP3_SP3	N	C[6]	S	4:3:	4:4:2:1:	2:4:1:	C[6]-4:S-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[6]2H)(SCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	S(NC[6])(CC3)(O)	N(C[6]C[6]2H)(SCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	S(NC[6])(CC3)(O)	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	114.7193	0.476	3	114.7193	0.476	3
941	466	893	0:SP2_SP2_SP3	N	C[6]	O	4:2:	4:4:2:1:	4:2:	C[6]-4:O-2:	C[6]-4:C[6]-4:N-2:H-1:	S-4:N-2:	N(C[6]C[6]2H)(OS)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	O(SC[6a]OO)(NC[6])	N(C[6]C[6]2H)(OS)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	O(SC[6a]OO)(NC[6])	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1
941	466	899	0:SP2_SP-NON_SP3	N	C[6]	C	4:1:	4:3:3:2:	2:	C[6]-4:C-1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6a]C[6]2)(C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	C(NC[6])	N(C[6]C[6a]C[6]2)(C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	C(NC[6])	177.7730	0.000	1	177.7730	0.000	1	177.7730	0.000	1	177.7730	0.000	1	177.8341	0.487	8	177.8341	0.487	8
941	466	899	0:SP2_SP-NON_SP3	N	C[6]	C	4:1:	4:3:4:2:	2:	C[6]-4:C-1:	C[6]-4:C[6]-3:C-4:N-2:	N-2:	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	C(NC[6])	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	C(NC[6])	178.0580	0.000	1	178.0580	0.000	1	178.0580	0.000	1	178.0580	0.000	1	177.8341	0.487	8	177.8341	0.487	8
941	466	899	0:SP2_SP-NON_SP3	N	C[6]	C	4:1:	4:4:3:2:	2:	C[6]-4:C-1:	C[5,6]-4:C[6]-4:C-3:N-2:	N-2:	N(C[6]C[5,6]C[6]C)(C)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC)	C(NC[6])	N(C[6]C[5,6]C[6]C)(C)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC){2|C<4>,2|H<1>,4|C<3>}	C(NC[6])	178.8830	0.000	1	178.8830	0.000	1	178.8830	0.000	1	178.2040	0.397	3	177.8341	0.487	8	177.8341	0.487	8
941	466	899	0:SP2_SP-NON_SP3	N	C[6]	C	4:1:	4:4:3:2:	2:	C[6]-4:C-1:	C[6]-4:C[6]-4:C-3:N-2:	N-2:	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)2(COO)(NC)	C(NC[6])	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)2(COO)(NC){4|H<1>,5|C<3>}	C(NC[6])	177.8645	0.319	2	177.8645	0.102	2	177.8645	0.102	2	178.2040	0.397	3	177.8341	0.487	8	177.8341	0.487	8
941	466	899	0:SP2_SP-NON_SP3	N	C[6]	C	4:1:	4:4:4:2:	2:	C[6]-4:C-1:	C[6,6]-4:C[6]-4:C-4:N-2:	N-2:	N(C[6]C[6,6]C[6]C)(C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C(NC[6])	N(C[6]C[6,6]C[6]C)(C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C(NC[6])	177.4100	0.897	3	177.4100	0.805	3	177.4100	0.805	3	177.4100	0.805	3	177.8341	0.487	8	177.8341	0.487	8
941	466	917	0:SP2_SP3_SP3	N	C[3x6]	P[4]	4:4:	4:4:4:2:	3:3:2:1:	C[3x6]-4:P[4]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	N[4]-3:N[4]-3:N-2:Se-1:	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)	C[3x6](C[6,6]C[3x6]HH)3(NP[4])	P[4](N[4]P[4]C)2(NC[3x6])(Se)	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)	C[3x6](C[6,6]C[3x6]HH)3(NP[4]){3|C<4>,3|H<1>}	P[4](N[4]P[4]C)2(NC[3x6])(Se){1|Se<1>,1|N<3>}	135.8180	0.000	1	135.8180	0.000	1	135.8180	0.000	1	135.8180	0.000	1	135.8180	0.000	1	135.8180	0.000	1
941	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:	4:4:4:2:	3:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[5a]-3:N-2:H-1:	N(C[3x6]C[6,6]3)(CC[5a]H)	C[3x6](C[6,6]C[3x6]HH)3(NC)	C(C[5a]C[5a]N[5a])(NC[3x6])(H)	N(C[3x6]C[6,6]3)(CC[5a]H)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(NC[3x6])(H)	120.9765	0.569	2	120.9765	0.324	2	120.9765	0.324	2	120.7540	2.524	12	120.7540	2.524	12	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:	4:4:4:2:	3:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[3x6]C[6,6]3)(CC[6a]H)	C[3x6](C[6,6]C[3x6]HH)3(NC)	C(C[6a]C[6a]2)(NC[3x6])(H)	N(C[3x6]C[6,6]3)(CC[6a]H)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[3x6])(H)	120.7095	1.742	10	120.7095	3.035	10	120.7095	3.035	10	120.7540	2.524	12	120.7540	2.524	12	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6,6]C[3x6]2H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)2(NC)(H)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[3x6]2H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)2(NC)(H){2|C<4>,8|H<1>}	C(C[6a]C[6a]2)(NC[6,6])(H)	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	118.5593	1.039	4	120.9706	11.146	7	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(NC[6,6])(H)	118.9875	0.083	2	118.9875	0.007	2	118.9875	0.007	2	118.5593	1.039	4	120.9706	11.146	7	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6,6]C[6,6]2H)(CC[6a]H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[6,6]2H)(CC[6a]H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6,6])(H)	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	118.5593	1.039	4	120.9706	11.146	7	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:	4:4:2:2:	3:2:1:	C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:O[6]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC){1|N<4>,2|H<1>,7|C<3>}	C(C[6a]C[6a]2)(NC[6,6])(H)	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	120.9706	11.146	7	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:	4:4:4:2:	2:2:1:	C[6,6]-4:C-3:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	N-2:O-2:O-1:	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	C(NC[6,6])(OC)(O)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	C(NC[6,6])(OC)(O)	124.4930	0.000	1	124.4930	0.000	1	124.4930	0.000	1	124.4930	0.000	1	120.9706	11.146	7	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	N-2:C-4:O-1:	N(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	C(NC[6,6])(CH3)(O)	N(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	C(NC[6,6])(CH3)(O)	126.1940	0.000	1	126.1940	0.000	1	126.1940	0.000	1	126.1940	0.000	1	120.9706	11.146	7	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:	4:4:2:1:	5:3:2:	C-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[3x3,4,3x5,14x6]-5:N-3:N-2:	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6]Ti)(NC[6])	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6]Ti)(NC[6])	127.5310	0.057	2	127.5310	0.003	2	127.5310	0.003	2	127.5310	0.003	2	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:	4:4:2:1:	6:3:2:	C-3:C[6]-4:	C[6]-4:C[6]-4:N-2:H-1:	C[5x3,5x5,20x6]-6:N-3:N-2:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	2:3:4:2:	4:2:1:	C[6]-4:C-3:	O[6]-2:C[6]-3:C-4:N-2:	C[6]-4:N-2:O-1:	N(C[6]C[6]O[6]C)(CC[6]O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	C(C[6]C[6]O[6]O)(NC[6])(O)	N(C[6]C[6]O[6]C)(CC[6]O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	C(C[6]C[6]O[6]O)(NC[6])(O)	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:3:2:1:	2:4:2:	C[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	N-2:C-4:O-2:	N(C[6]C[6,6a]2H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C(NC[6])(CCHH)(OH)	N(C[6]C[6,6a]2H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C(NC[6])(CCHH)(OH)	124.2610	0.000	1	124.2610	0.000	1	124.2610	0.000	1	124.2610	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:3:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[5,6]-4:N-2:O-1:	N(C[6]C[6,6a]2H)(CC[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6])(O)	N(C[6]C[6,6a]2H)(CC[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6])(O)	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:N-2:H-1:	N-2:O-2:O-1:	N(C[6]C[6]2H)(COO)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	C(NC[6])(OC)(O)	N(C[6]C[6]2H)(COO)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	C(NC[6])(OC)(O)	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C(NC[6])(CCl3)(O)	N(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C(NC[6])(CCl3)(O)	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C(C[5a]C[5a]S[5a])(NC[6])(H)	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a]S[5a])(NC[6])(H)	116.9615	0.684	2	116.9615	0.468	2	116.9615	0.468	2	117.3930	0.792	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	117.3930	0.792	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C(C[6a]C[6a]2)2(NC[6])	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(NC[6])	120.4980	0.000	1	120.4980	0.000	1	121.3360	1.404	2	121.3360	1.404	2	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	3:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C(C[6a]C[6a]2)2(NC[6])	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)2(NC[6])	122.1740	0.000	1	122.1740	0.000	1	121.3360	1.404	2	121.3360	1.404	2	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:2:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:N-2:H-1:	N-2:O-2:O-1:	N(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	C(NC[6])(OC)(O)	N(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(OC)(O)	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:2:2:1:	2:4:3:	C[6]-4:C-3:	C[6]-4:O[6]-2:N-2:H-1:	N-2:C-4:N-3:	N(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C(NC[6])(CH3)(NCC)	N(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6])(CH3)(NCC)	119.1900	0.000	1	119.1900	0.000	1	119.1900	0.000	1	119.1900	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	120.1410	0.000	1	120.1410	0.000	1	119.9285	1.803	4	119.9285	1.803	4	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	119.8577	1.635	3	119.8577	2.675	3	119.9285	1.803	4	119.9285	1.803	4	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:N-2:H-1:	C-4:N-2:O-1:	N(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C(CClCH)(NC[6])(O)	N(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CClCH)(NC[6])(O)	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:3:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:N-2:H-1:	N-2:O-2:O-1:	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	C(NC[6])(OC)(O)	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	C(NC[6])(OC)(O)	124.2700	0.000	1	124.2700	0.000	1	124.2700	0.000	1	124.2700	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	C(NC[6])(CH3)(O)	N(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(NC[6])(CH3)(O)	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-2:O-1:	N(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(NC[6a])(NC[6])(O)	N(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(NC[6a])(NC[6])(O)	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	121.0930	2.891	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:O-2:O-1:	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	C(NC[6])(OC)(O)	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	C(NC[6])(OC)(O)	122.1030	0.000	1	122.1030	0.000	1	122.0745	0.002	2	121.0930	2.891	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:O-2:O-1:	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	C(NC[6])(OC)(O)	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	C(NC[6])(OC)(O)	122.0460	0.000	1	122.0460	0.000	1	122.0745	0.002	2	121.0930	2.891	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:2:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:S-2:N-2:	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6])(SPd)(NN)	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(SPd)(NN)	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-3:H-1:	N(C[6]C[6]2H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	C(NC[6])(CCH)(H)	N(C[6]C[6]2H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(NC[6])(CCH)(H)	119.0487	0.546	4	119.0487	0.298	4	118.5932	1.261	5	119.6648	7.899	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-3:H-1:	N(C[6]C[6]2H)(CCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	C(NC[6])(CCC)(H)	N(C[6]C[6]2H)(CCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	C(NC[6])(CCC)(H)	116.7710	0.000	1	116.7710	0.000	1	118.5932	1.261	5	119.6648	7.899	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-3:S-1:	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(NC[6])(NCH)(S)	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(NCH)(S)	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	119.6648	7.899	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:3:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-3:N-3:	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(NC[6])(CCH)(NHH)	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(CCH)(NHH)	126.4850	0.000	1	126.4850	0.000	1	126.4850	0.000	1	126.4850	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6])(CC3)(O)	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(CC3)(O)	122.9030	0.000	1	122.9030	0.000	1	123.3695	2.144	4	123.3695	2.144	4	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6])(CCHH)(O)	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(CCHH)(O)	125.3150	0.000	1	125.3150	0.000	1	123.3695	2.144	4	123.3695	2.144	4	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6])(CHHO)(O)	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(CHHO)(O)	123.4470	0.000	1	123.4470	0.000	1	123.3695	2.144	4	123.3695	2.144	4	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(NC)(H)	C(NC[6])(CH3)(O)	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C(NC[6])(CH3)(O)	121.8130	0.000	1	121.8130	0.000	1	123.3695	2.144	4	123.3695	2.144	4	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:4:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:C-3:	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(NC[6])(CH3)(CCH)	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(CH3)(CCH)	128.2160	0.430	6	128.2160	0.185	6	128.2160	0.185	6	128.2160	0.185	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	2:4:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-2:C-4:C-4:	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	C(NC[6])(CCHH)(CH3)	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C(NC[6])(CCHH)(CH3)	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(NC[6])(H)	116.6823	0.871	9	116.6823	0.759	9	117.1550	0.730	18	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[5a]C[5a]O[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]O[5a])(NC[6])(H)	117.7580	0.557	2	117.7580	0.310	2	117.1550	0.730	18	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(NC[6])(H)	117.5990	0.626	6	117.5990	0.392	6	117.1550	0.730	18	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[5a]C[5a]S[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]S[5a])(NC[6])(H)	117.5390	0.000	1	117.5390	0.000	1	117.1550	0.730	18	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6]C[6]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NC[6])(H)	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	120.2293	0.791	3	120.2293	0.626	3	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	118.0422	1.561	239	118.0422	2.436	239	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	117.7013	0.941	16	117.7013	0.885	16	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,2|H<1>,2|N<2>}	C(C[6a]C[6a]2)(NC[6])(H)	117.4548	1.937	13	118.1468	1.956	45	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	118.3021	0.923	12	118.1468	1.956	45	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6])(H)	119.6660	0.000	1	118.1468	1.956	45	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	C(C[6a]C[6a]2)(NC[6])(H)	118.2884	1.119	15	118.1468	1.956	45	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	120.2060	0.000	1	118.1468	1.956	45	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){5|C<4>}	C(C[6a]C[6a]2)(NC[6])(H)	118.6233	0.188	3	118.1468	1.956	45	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	117.5345	0.675	2	117.5345	0.456	2	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6])(H)	118.5365	1.177	2	118.5365	1.386	2	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	119.2212	3.489	5	119.2212	12.176	5	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]N[5,6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]N[5,6]HH)2(NC)(H){3|C<4>}	C(C[6a]C[6a]2)(NC[6])(H)	118.5570	0.000	1	118.5570	0.000	1	118.0811	2.421	313	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	122.9820	0.000	1	122.9820	0.000	1	123.7440	0.544	3	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC[6])(O)	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(O)	124.1250	0.467	2	124.1250	0.218	2	123.7440	0.544	3	118.0964	2.705	335	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C-3:N-2:O-2:	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H)	C(CC[6a]N)(NC[6])(OC)	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(CC[6a]N)(NC[6])(OC)	119.3200	0.891	2	119.3200	0.794	2	119.3200	0.794	2	119.3200	0.794	2	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:C-3:	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(CNO)	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(CNO)	120.7520	0.713	2	120.7520	0.508	2	120.7520	0.508	2	121.1960	0.894	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-3:N-2:C-3:	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6]Al)(NC[6])(CSiC)	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6]Al)(NC[6])(CSiC)	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	121.1960	0.894	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-3:N-2:N-3:	N(C[6]C[6]2H)(CNN)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NC[6])(NCC)	120.7155	0.581	2	120.7155	0.337	2	121.4263	1.684	3	121.1960	0.894	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-3:N-2:N-3:	N(C[6]C[6]2H)(CNN)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(CNN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6]Si)(NC[6])(NSi2)	122.8480	0.000	1	122.8480	0.000	1	121.4263	1.684	3	121.1960	0.894	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:C-4:	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC[6])(CH3)	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(CH3)	124.6342	0.927	10	124.6342	0.860	10	124.2377	0.964	15	123.6007	2.514	19	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:C-4:	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	122.5580	0.000	1	122.5580	0.000	1	124.2377	0.964	15	123.6007	2.514	19	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:C-4:	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])(CH3)	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(CH3)	123.6662	0.136	4	123.6662	0.018	4	124.2377	0.964	15	123.6007	2.514	19	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-3:N-2:C-4:	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6]Ge)(NC[6])(CH3)	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6]Ge)(NC[6])(CH3)	121.4275	0.144	2	121.4275	0.021	2	120.9010	0.842	3	123.6007	2.514	19	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N-3:N-2:C-4:	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H)	C(NC[6]P)(NC[6])(CH3)	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(NC[6]P)(NC[6])(CH3)	119.8480	0.000	1	119.8480	0.000	1	120.9010	0.842	3	123.6007	2.514	19	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:2:4:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N[5a]-3:N-2:C-4:	N(C[6]C[6]2H)(CN[5a]C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C(N[5a]C[5a]2)(NC[6])(CH3)	N(C[6]C[6]2H)(CN[5a]C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	C(N[5a]C[5a]2)(NC[6])(CH3)	122.1450	0.000	1	122.1450	0.000	1	122.1450	0.000	1	123.6007	2.514	19	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:N-3:N-2:	N(C[6]C[6]2H)(CC[5]N)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[5]N[5]2)(NC[6]Al)(NC[6])	N(C[6]C[6]2H)(CC[5]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[5]N[5]2)(NC[6]Al)(NC[6])	123.2720	0.000	1	123.2720	0.000	1	123.2720	0.000	1	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C-3:N-2:	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	120.6928	0.716	4	120.6928	0.512	4	120.6928	0.512	4	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6]C[6]2H)(CC[6a]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	C(C[6a]C[6a]2)2(NC[6])	N(C[6]C[6]2H)(CC[6a]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)2(NC[6])	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N[5]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[5]N)	C[6](C[6]C[6]HH)2(NC)(H)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N[5a]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[5a]N)	C[6](C[6]C[6]HH)2(NC)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	120.9125	0.436	2	120.9125	0.190	2	120.9278	0.182	8	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N[5a]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[5a]N)	C[6](C[6]C[6]HH)2(NC)(H)	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	120.9328	0.466	6	120.9328	0.217	6	120.9278	0.182	8	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[6]N)	C[6](C[6]C[6]HH)2(NC)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)(NC[6])	121.1604	0.710	5	121.1604	0.504	5	121.1035	0.423	6	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[6]N)	C[6](C[6]C[6]HH)2(NC)(H)	C(N[6]C[6]2)(NC[6]P)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]P)(NC[6])	120.8190	0.000	1	120.8190	0.000	1	121.1035	0.423	6	121.0388	0.531	21	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:N-2:H-1:	C-4:N-2:S-1:	N(C[6]C[5,6]C[6]H)(CCS)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	C(CC[6]HH)(NC[6])(S)	N(C[6]C[5,6]C[6]H)(CCS)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	C(CC[6]HH)(NC[6])(S)	129.4560	0.000	1	129.4560	0.000	1	129.4560	0.000	1	124.4970	19.342	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-4:N-2:H-1:	N(C[6]C[6]2H)(CC[5]H)	C[6](C[6]C[6]HH)2(NC)(H)	C(C[5]C[5]2Fe)(NC[6])(H)	N(C[6]C[6]2H)(CC[5]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6])(H)	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	124.4970	19.342	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-4:N-2:O-1:	N(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(C[5]C[5]2Fe)(NC[6])(O)	N(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6])(O)	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	124.4970	19.342	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H)	C(PC[6]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(PC[6]2Se)(NC[6]H)(NC[6])	127.0410	0.000	1	127.0410	0.000	1	124.0003	3.298	6	124.0003	3.298	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H)	C(PC[6a]2B)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(PC[6a]2B)(NC[6]H)(NC[6])	121.3310	0.000	1	121.3310	0.000	1	124.0003	3.298	6	124.0003	3.298	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H)	C(PC[6a]2S)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(PC[6a]2S)(NC[6]H)(NC[6])	123.7610	0.000	2	123.7610	0.000	2	124.0003	3.298	6	124.0003	3.298	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:1:	4:3:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H)	C(PC[6a]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(PC[6a]2Se)(NC[6]H)(NC[6])	124.0540	0.000	2	124.0540	0.000	2	124.0003	3.298	6	124.0003	3.298	6	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-2:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2C)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC)(NC)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2C)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC)(NC){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	121.2790	0.256	2	121.2790	0.066	2	121.2790	0.066	2	122.1033	2.071	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:2:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-2:N-2:	C[6a]-3:N-2:O-1:	N(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CN)(NC)	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	N(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CN)(NC){1|C<4>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	123.7520	0.000	1	123.7520	0.000	1	123.7520	0.000	1	122.1033	2.071	3	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:3:2:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:N-2:O-1:	N(C[6]C[6]2C)(CC[6]O)	C[6](C[6]O[6]HH)2(CNO)(NC)	C(C[6]C[6]2N)(NC[6])(O)	N(C[6]C[6]2C)(CC[6]O)	C[6](C[6]O[6]HH)2(CNO)(NC){1|C<4>}	C(C[6]C[6]2N)(NC[6])(O)	121.4820	0.000	1	121.4820	0.000	1	121.4820	0.000	1	121.4820	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:N-2:	N-2:C-4:O-1:	N(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CH3)(NC)	C(NC[6])(CF3)(O)	N(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	C(NC[6])(CF3)(O)	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6]C[6]C)(CC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6]C)(CC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	119.1344	7.197	442	119.2045	7.220	461
941	466	941	0:SP2_SP2_SP3	N	C[3x6]	N	4:2:	4:4:4:2:	2:2:	C[3x6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	N-2:N-2:	N(C[3x6]C[6,6]3)(NN)	C[3x6](C[6,6]C[3x6]HH)3(NN)	N(NC[3x6])(NLa)	N(C[3x6]C[6,6]3)(NN)	C[3x6](C[6,6]C[3x6]HH)3(NN){3|C<4>,3|H<1>}	N(NC[3x6])(NLa)	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	115.0475	4.473	2	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[3x6]	N	4:2:	4:4:4:2:	2:3:	C[3x6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	N-2:N-3:	N(C[3x6]C[6,6]3)(NN)	C[3x6](C[6,6]C[3x6]HH)3(NN)	N(NC[3x6])(NSnP)	N(C[3x6]C[6,6]3)(NN)	C[3x6](C[6,6]C[3x6]HH)3(NN){3|C<4>,3|H<1>}	N(NC[3x6])(NSnP)	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	115.0475	4.473	2	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[4x6]	N	4:2:	4:4:4:2:	2:1:	C[4x6]-4:N-2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	N-2:N-1:	N(C[4x6]C[4x6]2C[6,6])(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	N(NC[4x6])(N)	N(C[4x6]C[4x6]2C[6,6])(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	N(NC[4x6])(N)	115.7010	0.099	2	115.7010	0.010	2	115.7010	0.010	2	115.7010	0.010	2	115.7010	0.010	2	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6,6]	N	4:2:	4:3:3:2:	2:1:	C[6,6]-4:N-2:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	N-2:N-1:	N(C[6,6]C[6,6]2C[6])(NN)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	N(NC[6,6])(N)	N(C[6,6]C[6,6]2C[6])(NN)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	N(NC[6,6])(N)	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	116.5070	1.812	3	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6,6]	N	4:2:	4:4:4:2:	2:1:	C[6,6]-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	N-2:N-1:	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	N(NC[6,6])(N)	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N(NC[6,6])(N)	117.5170	0.000	1	117.2710	0.121	2	117.2710	0.121	2	117.2710	0.121	2	116.5070	1.812	3	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6,6]	N	4:2:	4:4:4:2:	2:1:	C[6,6]-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	N-2:N-1:	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	N(NC[6,6])(N)	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	N(NC[6,6])(N)	117.0250	0.000	1	117.2710	0.121	2	117.2710	0.121	2	117.2710	0.121	2	116.5070	1.812	3	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	3:3:2:1:	3:2:	C[6]-4:N-2:	C[6]-3:C[6]-3:N-2:H-1:	C[5a]-3:N-2:	N(C[6]C[6]2H)(NC[5a])	C[6](C[6]N[6]O)2(NN)(H)	N(C[5a]N[5a]S[5a])(NC[6])	N(C[6]C[6]2H)(NC[5a])	C[6](C[6]N[6]O)2(NN)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(NC[6])	119.1220	0.000	1	119.1220	0.000	1	119.1220	0.000	1	119.1220	0.000	1	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	3:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6a]C[5,6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6a]C[5,6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N(NC[6])(N)	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	115.2367	2.892	12	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	3:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6a]-3:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	N(NC[6])(N)	116.1428	1.768	6	116.1428	3.127	6	115.9040	3.005	7	115.2367	2.892	12	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	3:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6a]-3:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(NC[6])(N)	114.4710	0.000	1	114.4710	0.000	1	115.9040	3.005	7	115.2367	2.892	12	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	3:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-3:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	N(NC[6])(N)	114.9080	2.070	2	114.9080	4.287	2	114.9080	4.287	2	115.2367	2.892	12	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	3:4:2:1:	2:1:	C[6]-4:N-2:	N[6,6]-3:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]N[6,6]C[6]H)(NN)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]N[6,6]C[6]H)(NN)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N(NC[6])(N)	114.2370	0.311	2	114.2370	0.097	2	114.2370	0.097	2	115.2367	2.892	12	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:N-2:H-1:	N-2:N-1:	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	N(NC[6])(N)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(NC[6])(N)	112.6300	0.000	1	112.6300	0.000	1	114.0116	1.652	10	114.0116	1.652	10	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:N-2:H-1:	N-2:N-1:	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	N(NC[6])(N)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(NC[6])(N)	116.1640	0.000	1	116.1640	0.000	1	114.0116	1.652	10	114.0116	1.652	10	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:N-2:H-1:	N-2:N-1:	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	N(NC[6])(N)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(NC[6])(N)	115.4275	0.012	2	113.9153	1.178	8	114.0116	1.652	10	114.0116	1.652	10	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:N-2:H-1:	N-2:N-1:	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	N(NC[6])(N)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	N(NC[6])(N)	113.0240	0.000	1	113.9153	1.178	8	114.0116	1.652	10	114.0116	1.652	10	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:N-2:H-1:	N-2:N-1:	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	N(NC[6])(N)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(NC[6])(N)	113.4886	0.702	5	113.9153	1.178	8	114.0116	1.652	10	114.0116	1.652	10	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:3:2:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:C-3:N-2:	N-2:N-1:	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	N(NC[6])(N)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|N<2>,2|C<4>,2|H<1>}	N(NC[6])(N)	116.9310	0.000	1	114.4513	6.290	3	114.4513	6.290	3	114.4513	6.290	3	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:2:3:2:	2:1:	C[6]-4:N-2:	C[6]-4:O[6]-2:C-3:N-2:	N-2:N-1:	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	N(NC[6])(N)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	N(NC[6])(N)	113.2115	1.832	2	114.4513	6.290	3	114.4513	6.290	3	114.4513	6.290	3	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:3:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-3:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	N(NC[6])(N)	113.6170	0.758	2	113.6170	0.575	2	113.6170	0.575	2	113.6170	0.575	2	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:3:4:2:	2:1:	C[6]-4:N-2:	C[5,6]-4:C[6]-3:C-4:N-2:	N-2:N-1:	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	N(NC[6])(N)	115.7017	1.092	3	116.4000	2.745	4	116.4000	2.745	4	116.8895	6.801	6	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:3:4:2:	2:1:	C[6]-4:N-2:	C[5,6]-4:C[6]-3:C-4:N-2:	N-2:N-1:	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	N(NC[6])(N)	118.4950	0.000	1	116.4000	2.745	4	116.4000	2.745	4	116.8895	6.801	6	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:3:4:2:	2:1:	C[6]-4:N-2:	C[5]-4:C[6]-3:C[6]-4:N-2:	N-2:N-1:	N(C[6]C[5]C[6]2)(NN)	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN)	N(NC[6])(N)	N(C[6]C[5]C[6]2)(NN)	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN){1|N<3>,1|O<1>,4|C<3>}	N(NC[6])(N)	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	116.8895	6.801	6	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:3:4:2:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:N-2:	N-2:N-1:	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN){3|C<4>,3|H<1>}	N(NC[6])(N)	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	116.8895	6.801	6	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[3,6]-4:C[5,6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[3,6]C[5,6]H)(NN)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H)	N(NC[6])(N)	N(C[6]C[3,6]C[5,6]H)(NN)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H){1|H<1>,2|C<4>}	N(NC[6])(N)	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[3,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[3,6]C[6]H)(NN)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[3,6]C[6]H)(NN)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	N(NC[6])(N)	115.0275	0.521	2	115.0275	0.272	2	115.0275	0.272	2	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[5,5,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[5,5,6]C[6]H)(NN)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[5,5,6]C[6]H)(NN)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	N(NC[6])(N)	116.3335	2.156	2	116.3335	4.648	2	116.3335	4.648	2	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[5,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(NC[6])(N)	115.6695	1.327	2	115.6695	1.762	2	116.3628	1.811	4	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[5,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	N(NC[6])(N)	117.0560	1.322	2	117.0560	1.748	2	116.3628	1.811	4	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6,6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6]2H)(NN)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6]2H)(NN)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	N(NC[6])(N)	115.2994	0.380	5	115.2994	0.144	5	115.2994	0.144	5	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	N(NC[6])(N)	114.3950	0.000	1	114.3950	0.000	1	115.1549	1.532	7	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	N(NC[6])(N)	115.6940	0.556	2	115.6940	0.309	2	115.1549	1.532	7	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N(NC[6])(N)	117.4150	0.000	1	116.0365	3.801	2	115.1549	1.532	7	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	N(NC[6])(N)	114.6580	0.000	1	116.0365	3.801	2	115.1549	1.532	7	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	N(NC[6])(N)	114.1140	0.453	2	114.1140	0.205	2	115.1549	1.532	7	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	N(NC[6])(N)	116.3540	0.000	1	116.3540	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	N(NC[6])(N)	115.1753	0.261	3	114.7732	0.692	4	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	N(NC[6])(N)	113.5670	0.000	1	114.7732	0.692	4	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	116.3383	1.200	3	116.3383	1.439	3	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	115.0957	0.819	3	115.0957	0.671	3	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)2(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	N(NC[6])(N)	118.5266	2.197	5	118.5266	4.826	5	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	N(NC[6])(N)	116.5110	0.000	1	116.5110	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	N(NC[6])(N)	114.8995	0.081	2	114.8995	0.007	2	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(NC[6])(N)	114.5010	0.000	1	114.9900	0.478	2	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	N(NC[6])(N)	115.4790	0.000	1	114.9900	0.478	2	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(NC[6])(N)	114.5940	0.000	1	114.5940	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	N(NC[6])(N)	117.7120	0.000	1	117.7120	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	N(NC[6])(N)	113.9560	0.000	1	113.9560	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(NC[6])(N)	114.2770	0.000	1	114.2770	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)2(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(NC[6])(N)	116.3390	0.000	1	116.3390	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(NC[6])(N)	115.9250	0.000	1	115.6954	1.895	8	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	115.6626	1.484	7	115.6954	1.895	8	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(NC[6])(N)	114.1370	0.000	1	116.6255	12.385	2	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	119.1140	0.000	1	116.6255	12.385	2	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	115.1680	0.000	1	115.1680	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	114.6200	0.625	3	114.6200	0.390	3	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	113.9890	0.000	1	113.9890	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	N(NC[6])(N)	115.8940	0.000	1	115.8940	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	N(NC[6])(N)	116.4660	0.000	1	116.4660	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-1:	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	N(NC[6])(N)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(NC[6])(N)	114.7250	0.000	1	114.7250	0.000	1	115.7833	2.838	44	115.7080	2.325	65	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:1:	2:2:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-2:	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(NN)(H)	N(NC[6])(NP)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,2|H<1>,2|N<2>}	N(NC[6])(NP)	110.5007	0.741	3	110.5007	0.549	3	110.5007	0.549	3	110.5007	0.549	3	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:2:	2:1:	C[6]-4:N-2:	C[6]-4:C-4:O[6]-2:N-2:	N-2:N-1:	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	N(NC[6])(N)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	N(NC[6])(N)	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:2:	3:2:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-2:N-2:	N-3:N-2:	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)2(CN)(NN)	N(NC[6a]C)(NC[6])	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	N(NC[6a]C)(NC[6])	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:2:2:	4:2:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:N-2:	N(C[6]C[6]2C)(NC[6])	C[6](C[6]C[6]HH)2(CN)(NN)	N(C[6]C[6]2C)(NC[6])	N(C[6]C[6]2C)(NC[6])	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(NC[6])	114.0730	0.000	1	114.0730	0.000	1	114.0730	0.000	1	114.0730	0.000	1	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:3:2:	2:1:	C[6]-4:N-2:	C[5,6]-4:C[6]-4:C-3:N-2:	N-2:N-1:	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	N(NC[6])(N)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	N(NC[6])(N)	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	117.5060	5.206	3	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:3:2:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	N-2:N-1:	N(C[6]C[6,6]C[6a]C[6])(NN)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	N(NC[6])(N)	N(C[6]C[6,6]C[6a]C[6])(NN)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N(NC[6])(N)	118.8730	0.000	1	118.8730	0.000	1	118.8730	0.000	1	117.5060	5.206	3	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:3:2:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-3:N-2:	N-2:N-1:	N(C[6]C[6]2N)(NN)	C[6](C[6]N[6]HH)2(NOO)(NN)	N(NC[6])(N)	N(C[6]C[6]2N)(NN)	C[6](C[6]N[6]HH)2(NOO)(NN){1|C<4>,2|N<3>}	N(NC[6])(N)	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	117.5060	5.206	3	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:3:2:	3:2:	C[6]-4:N-2:	C[6]-4:C[6]-4:N-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2N)(NC[6a])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2N)(NC[6a])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:4:2:	2:1:	C[6]-4:N-2:	C[6,6]-4:C[6]-4:C-4:N-2:	N-2:N-1:	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	N(NC[6])(N)	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	N(NC[6])(N)	115.9410	0.000	1	115.9410	0.000	1	115.9410	0.000	1	115.7389	0.922	9	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:4:2:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-4:N-2:	N-2:N-1:	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	N(NC[6])(N)	114.4350	0.000	1	114.4350	0.000	1	115.7136	1.047	8	115.7389	0.922	9	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:4:2:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-4:N-2:	N-2:N-1:	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	N(NC[6])(N)	114.5950	0.000	1	114.5950	0.000	1	115.7136	1.047	8	115.7389	0.922	9	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:4:2:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-4:N-2:	N-2:N-1:	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	N(NC[6])(N)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	N(NC[6])(N)	115.8580	0.349	2	115.8580	0.122	2	115.7136	1.047	8	115.7389	0.922	9	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:4:2:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-4:N-2:	N-2:N-1:	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6])(N)	115.4650	0.000	1	115.4650	0.000	1	115.7136	1.047	8	115.7389	0.922	9	115.4048	3.890	118	115.4303	3.768	125
941	466	941	0:SP2_SP2_SP3	N	C[6]	N	4:2:	4:4:4:2:	2:1:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-4:N-2:	N-2:N-1:	N(C[6]C[6]2C)(NN)	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	N(NC[6])(N)	N(C[6]C[6]2C)(NN)	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	N(NC[6])(N)	116.4993	1.088	3	116.4993	1.183	3	115.7136	1.047	8	115.7389	0.922	9	115.4048	3.890	118	115.4303	3.768	125
941	466	951	0:SP2_SP-NON_SP3	N	C[6]	H	4:1:	4:2:2:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:N-2:O-2:	N-2:	N(C[6]C[6]O[6]O)(H)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	H(NC[6])	N(C[6]C[6]O[6]O)(H)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	H(NC[6])	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	112.2265	0.036	2	112.2265	0.036	2
941	466	951	0:SP2_SP-NON_SP3	N	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	N-2:	N(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NH)(H)	H(NC[6])	N(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NH)(H){1|C<4>,4|H<1>}	H(NC[6])	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.2265	0.036	2	112.2265	0.036	2
941	466	952	0:SP2_SP3_SP3	N	C[3x6]	S	4:4:	4:4:4:2:	3:2:1:1:	C[3x6]-4:S-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[3x6]C[6,6]3)(SC[6a]OO)	C[3x6](C[6,6]C[3x6]HH)3(NS)	S(C[6a]C[6a]2)(NC[3x6])(O)2	N(C[3x6]C[6,6]3)(SC[6a]OO)	C[3x6](C[6,6]C[3x6]HH)3(NS){3|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[3x6])(O)2	127.8523	0.891	3	127.8523	0.794	3	127.8523	0.794	3	127.8523	0.794	3	127.8523	0.794	3	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:2:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-3:O[6]-2:N-2:H-1:	N-2:C-4:O-1:O-1:	N(C[6]C[6]O[6]H)(SCOO)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	S(NC[6])(CCHH)(O)2	N(C[6]C[6]O[6]H)(SCOO)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	S(NC[6])(CCHH)(O)2	123.3640	0.000	1	123.3640	0.000	1	123.3640	0.000	1	123.3640	0.000	1	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:3:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	127.1470	0.000	1	127.1470	0.000	1	127.1470	0.000	1	127.1470	0.000	1	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:4:2:1:	2:2:1:1:	C[6]-4:S-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	N-2:O-2:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	S(NC[6])(OC)(O)2	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	S(NC[6])(OC)(O)2	121.8300	0.000	1	122.5645	1.079	2	122.5645	1.079	2	122.5645	1.079	2	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:4:2:1:	2:2:1:1:	C[6]-4:S-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	N-2:O-2:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	S(NC[6])(OC)(O)2	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	S(NC[6])(OC)(O)2	123.2990	0.000	1	122.5645	1.079	2	122.5645	1.079	2	122.5645	1.079	2	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	119.9990	0.000	1	119.9990	0.000	1	121.8205	6.636	2	122.5630	4.972	3	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	123.6420	0.000	1	123.6420	0.000	1	121.8205	6.636	2	122.5630	4.972	3	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:S-4:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[6]N[5a,6]C[5,6]H)(SC[6a]OO)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]N[5a,6]C[5,6]H)(SC[6a]OO)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	122.5630	4.972	3	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:3:4:2:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	127.5780	0.266	2	127.4067	0.123	3	127.4067	0.123	3	127.4067	0.123	3	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:3:4:2:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	127.0640	0.000	1	127.4067	0.123	3	127.4067	0.123	3	127.4067	0.123	3	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:N-2:H-1:	N-2:O-1:O-1:O-1:	N(C[6]C[6]2H)(SO3)	C[6](C[6]C[6]HH)2(NS)(H)	S(NC[6])(O)3	N(C[6]C[6]2H)(SO3)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	S(NC[6])(O)3	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NS)(H)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	123.9160	0.000	1	123.9160	0.000	1	123.1710	1.110	2	123.1710	1.110	2	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.4260	0.000	1	122.4260	0.000	1	123.1710	1.110	2	123.1710	1.110	2	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:4:3:2:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)2(COO)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)2(COO)(NS){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	126.2420	0.000	1	126.2420	0.000	1	126.2420	0.000	1	126.2420	0.000	1	124.2109	9.312	15	124.8178	9.712	18
941	466	952	0:SP2_SP3_SP3	N	C[6]	S	4:4:	4:4:4:2:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	124.2109	9.312	15	124.8178	9.712	18
941	466	956	0:SP2_SP2_SP3	N	C[6]	N	4:3:	4:4:2:2:	4:2:1:	C[6]-4:N-3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:N-2:O-1:	N(C[6]C[6]2O)(NC[6]O)	C[6](C[6]O[6]HH)2(NN)(OC)	N(C[6]C[6]2O)(NC[6])(O)	N(C[6]C[6]2O)(NC[6]O)	C[6](C[6]O[6]HH)2(NN)(OC){1|C<4>}	N(C[6]C[6]2O)(NC[6])(O)	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1
941	466	983	0:SP2_SP1_SP3	N	C[3x6]	C	4:2:	4:4:4:2:	3:2:	C[3x6]-4:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	Ge[5]-3:N-2:	N(C[3x6]C[6,6]3)(CGe[5])	C[3x6](C[6,6]C[3x6]HH)3(NC)	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	N(C[3x6]C[6,6]3)(CGe[5])	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	176.5380	0.000	1	176.5380	0.000	1	176.5380	0.000	1	176.5380	0.000	1	176.5380	0.000	1	142.9350	573.297	6
941	466	983	0:SP2_SP1_SP3	N	C[6]	C	4:2:	3:4:3:2:	2:1:	C[6]-4:C-2:	C[6a]-3:C[6]-4:C[6]-3:N-2:	N-2:S-1:	N(C[6]C[6a]C[6]2)(CS)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C(NC[6])(S)	N(C[6]C[6a]C[6]2)(CS)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C(NC[6])(S)	149.7030	0.000	1	149.7030	0.000	1	149.7030	0.000	1	149.7030	0.000	1	136.2144	377.872	5	142.9350	573.297	6
941	466	983	0:SP2_SP1_SP3	N	C[6]	C	4:2:	4:2:2:1:	2:1:	C[6]-4:C-2:	C[6]-4:O[6]-2:N-2:H-1:	N-2:O-1:	N(C[6]C[6]O[6]H)(CO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C(NC[6])(O)	N(C[6]C[6]O[6]H)(CO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6])(O)	131.4390	0.000	1	131.4390	0.000	1	131.4390	0.000	1	131.4390	0.000	1	136.2144	377.872	5	142.9350	573.297	6
941	466	983	0:SP2_SP1_SP3	N	C[6]	C	4:2:	4:4:2:1:	2:1:	C[6]-4:C-2:	C[6]-4:C[6]-4:N-2:H-1:	N-2:S-1:	N(C[6]C[6]2H)(CS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C(NC[6])(S)	N(C[6]C[6]2H)(CS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C(NC[6])(S)	162.5210	0.000	1	162.5210	0.000	1	162.5210	0.000	1	162.5210	0.000	1	136.2144	377.872	5	142.9350	573.297	6
941	466	983	0:SP2_SP1_SP3	N	C[6]	C	4:2:	4:4:2:1:	3:2:	C[6]-4:C-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:N-2:	N(C[6]C[6]2H)(CC[6])	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6]N[6]2)(NC[6])	N(C[6]C[6]2H)(CC[6])	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C(C[6]N[6]2)(NC[6])	119.5740	0.000	1	119.5740	0.000	1	119.5740	0.000	1	118.7045	1.512	2	136.2144	377.872	5	142.9350	573.297	6
941	466	983	0:SP2_SP1_SP3	N	C[6]	C	4:2:	4:4:2:1:	3:2:	C[6]-4:C-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:N-2:	N(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	C(C[6a]C[6a]2)(NC[6])	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	118.7045	1.512	2	136.2144	377.872	5	142.9350	573.297	6
941	466	989	0:SP2_SP2_SP3	N	C[3x6]	Si[5]	4:3:	4:4:4:2:	4:4:2:	C[3x6]-4:Si[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[5]-4:C[5]-4:N-2:	N(C[3x6]C[6,6]3)(Si[5]C[5]2)	C[3x6](C[6,6]C[3x6]HH)3(NSi[5])	Si[5](C[5]C[5]Si2)2(NC[3x6])	N(C[3x6]C[6,6]3)(Si[5]C[5]2)	C[3x6](C[6,6]C[3x6]HH)3(NSi[5]){3|C<4>,3|H<1>}	Si[5](C[5]C[5]Si2)2(NC[3x6]){4|H<1>}	173.2950	0.000	1	173.2950	0.000	1	173.2950	0.000	1	173.2950	0.000	1	173.2950	0.000	1	173.2950	0.000	1
941	466	992	0:SP2_SP3_SP3	N	C[3x6]	P	4:4:	4:4:4:2:	3:3:2:4:	C[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6a]-3:C[6a]-3:N-2:C-4:	N(C[3x6]C[6,6]3)(PC[6a]2C)	C[3x6](C[6,6]C[3x6]HH)3(NP)	P(C[6a]C[6a]2)2(NC[3x6])(CHHP)	N(C[3x6]C[6,6]3)(PC[6a]2C)	C[3x6](C[6,6]C[3x6]HH)3(NP){3|C<4>,3|H<1>}	P(C[6a]C[6a]2)2(NC[3x6])(CHHP)	133.1337	1.993	4	133.1337	3.973	4	133.1337	3.973	4	133.1337	3.973	4	134.2748	12.659	6	131.0611	25.388	10
941	466	992	0:SP2_SP3_SP3	N	C[3x6]	P	4:4:	4:4:4:2:	3:3:3:2:	C[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[3x6]C[6,6]3)(PC[6a]3)	C[3x6](C[6,6]C[3x6]HH)3(NP)	P(C[6a]C[6a]2)3(NC[3x6])	N(C[3x6]C[6,6]3)(PC[6a]3)	C[3x6](C[6,6]C[3x6]HH)3(NP){3|C<4>,3|H<1>}	P(C[6a]C[6a]2)3(NC[3x6])	136.5570	5.979	2	136.5570	35.752	2	136.5570	35.752	2	136.5570	35.752	2	134.2748	12.659	6	131.0611	25.388	10
941	466	992	0:SP2_SP3_SP3	N	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:N-2:H-1:	O-2:O-2:N-2:O-1:	N(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HH)2(NP)(H)	P(OC[6a])2(NC[6])(O)	N(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	P(OC[6a])2(NC[6])(O)	129.0130	0.000	1	129.0130	0.000	1	129.0130	0.000	1	129.0130	0.000	1	126.2405	3.425	4	131.0611	25.388	10
941	466	992	0:SP2_SP3_SP3	N	C[6]	P	4:4:	4:4:2:1:	2:2:3:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:N-2:H-1:	N-2:N-2:N-3:O-1:	N(C[6]C[6]2H)(PNNO)	C[6](C[6]C[6]HH)2(NP)(H)	P(NC[6])2(NCH)(O)	N(C[6]C[6]2H)(PNNO)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	P(NC[6])2(NCH)(O)	125.2925	0.155	2	125.2925	0.024	2	125.2925	0.024	2	125.2925	0.024	2	126.2405	3.425	4	131.0611	25.388	10
941	466	992	0:SP2_SP3_SP3	N	C[6]	P	4:4:	4:4:2:1:	3:3:2:2:	C[6]-4:P-4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:N-2:	N(C[6]C[6]2H)(PC[6a]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	N(C[6]C[6]2H)(PC[6a]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	126.2405	3.425	4	131.0611	25.388	10
941	466	996	0:SP2_SP3_SP3	N	C[3x6]	Si[4]	4:4:	4:4:4:2:	3:3:3:2:	C[3x6]-4:Si[4]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	N[4]-3:N[4]-3:N-3:N-2:	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)	C[3x6](C[6,6]C[3x6]HH)3(NSi[4])	Si[4](N[4]C[4]C)2(NC[6a]2)(NC[3x6])	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]){3|C<4>,3|H<1>}	Si[4](N[4]C[4]C)2(NC[6a]2)(NC[3x6]){1|C<3>}	147.8970	0.000	1	147.8970	0.000	1	147.8970	0.000	1	147.8970	0.000	1	147.8970	0.000	1	147.8970	0.000	1
941	474	490	0:SP2_SP3_SP3	N	C[5]	C	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:N-2:H-1:	C[6a]-3:N-2:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(NC[5])(H)2	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	112.8070	2.482	2	112.8070	2.482	2
941	474	490	0:SP2_SP3_SP3	N	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:N-2:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(NC[5])(H)2	113.9210	0.000	1	113.9210	0.000	1	113.9210	0.000	1	113.9210	0.000	1	112.8070	2.482	2	112.8070	2.482	2
941	474	643	0:SP2_SP2_SP3	N	C[5,5]	C[6a]	4:3:	3:4:4:2:	3:3:2:	C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5])	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]){1|C<3>,2|H<1>}	125.3260	0.000	1	125.3260	0.000	1	125.3260	0.000	1	125.3260	0.000	1	125.3260	0.000	1	123.4473	4.021	6
941	474	643	0:SP2_SP2_SP3	N	C[5]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5])	N(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<3>}	119.5450	0.000	1	119.5450	0.000	1	119.5450	0.000	1	119.5450	0.000	1	123.0716	3.968	5	123.4473	4.021	6
941	474	643	0:SP2_SP2_SP3	N	C[5]	C[6a]	4:3:	3:2:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NC[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	123.8245	0.064	2	123.0716	3.968	5	123.4473	4.021	6
941	474	643	0:SP2_SP2_SP3	N	C[5]	C[6a]	4:3:	3:2:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5]-3:O[5]-2:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	123.6460	0.000	1	123.6460	0.000	1	123.6460	0.000	1	123.8245	0.064	2	123.0716	3.968	5	123.4473	4.021	6
941	474	643	0:SP2_SP2_SP3	N	C[5]	C[6a]	4:3:	4:3:2:3:	3:3:2:	C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:N-2:C-3:	C[6a]-3:C[6a]-3:N-2:	N(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(NC[6a])(COO)	C[6a](C[6a]C[6a]H)2(NC[5])	N(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(NC[6a])(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[5]){1|C<3>,2|H<1>}	124.0820	0.443	2	124.0820	0.196	2	124.0820	0.196	2	124.0820	0.196	2	123.0716	3.968	5	123.4473	4.021	6
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	124.8278	0.808	4	124.8278	0.653	4	121.2477	9.662	12	120.6514	8.500	16	121.1940	7.993	20	121.1940	7.993	20
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	118.8530	1.581	4	118.8530	2.499	4	121.2477	9.662	12	120.6514	8.500	16	121.1940	7.993	20	121.1940	7.993	20
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	120.0625	2.381	4	120.0625	5.667	4	121.2477	9.662	12	120.6514	8.500	16	121.1940	7.993	20	121.1940	7.993	20
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-2:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])(OH){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	119.8800	0.000	2	119.8800	0.000	2	118.8623	1.381	4	120.6514	8.500	16	121.1940	7.993	20	121.1940	7.993	20
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-2:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	117.8445	0.019	2	117.8445	0.000	2	118.8623	1.381	4	120.6514	8.500	16	121.1940	7.993	20	121.1940	7.993	20
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:2:4:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-2:C-4:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	123.0625	0.660	2	123.0625	0.435	2	123.0625	0.435	2	123.0625	0.435	2	121.1940	7.993	20	121.1940	7.993	20
941	474	727	0:SP2_SP2_SP3	N	C[5]	C[5a]	3:4:	3:3:3:2:	3:3:2:	C[5a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:N-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]H)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	123.6660	0.117	2	123.6660	0.014	2	123.6660	0.014	2	123.6660	0.014	2	121.1940	7.993	20	121.1940	7.993	20
941	474	762	0:SP2_SP2_SP3	N	C[5]	C[6,6]	3:4:	4:4:2:1:	4:3:2:	C[6,6]-3:C[5]-4:	C[5]-4:C[5]-4:N-2:H-1:	C[3x6]-4:N[6,6]-3:N-2:	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5])	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5]){2|C<4>,5|H<1>}	126.1230	0.000	1	126.1230	0.000	1	126.1230	0.000	1	126.1230	0.000	1	126.1230	0.000	1	122.2965	29.284	2
941	474	762	0:SP2_SP2_SP3	N	C[5]	C[6]	4:3:	3:3:2:1:	4:3:2:	C[5]-4:C[6]-3:	C[5,6a]-3:N[5]-3:N-2:H-1:	C[6]-4:C[6]-3:N-2:	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5])	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	122.2965	29.284	2
941	474	863	0:SP2_SP2_SP3	N	C[5]	O	4:1:	4:4:2:1:	2:	C[5]-4:O-1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	N-2:	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl)	O(NC[5])	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl){2|C<4>,2|H<1>,2|O<2>}	O(NC[5])	113.6640	0.000	1	113.6640	0.000	1	114.9535	3.326	2	114.9535	3.326	2	114.9535	3.326	2	114.9535	3.326	2
941	474	863	0:SP2_SP2_SP3	N	C[5]	O	4:1:	4:4:2:1:	2:	C[5]-4:O-1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	N-2:	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl)	O(NC[5])	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl){1|C<4>,1|H<1>,1|O<2>}	O(NC[5])	116.2430	0.000	1	116.2430	0.000	1	114.9535	3.326	2	114.9535	3.326	2	114.9535	3.326	2	114.9535	3.326	2
941	474	887	0:SP2_SP3_SP3	N	C[5]	S	4:3:	4:4:2:1:	2:4:1:	C[5]-4:S-3:	C[5]-4:C[5]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[5]C[5]2H)(SCO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	S(NC[5])(CC3)(O)	N(C[5]C[5]2H)(SCO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	S(NC[5])(CC3)(O)	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1
941	474	899	0:SP2_SP-NON_SP3	N	C[5]	C	4:1:	3:4:2:1:	2:	C[5]-4:C-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	N-2:	N(C[5]C[5,6a]C[5]H)(C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C(NC[5])	N(C[5]C[5,6a]C[5]H)(C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(NC[5])	178.2140	0.000	1	178.2140	0.000	1	178.2140	0.000	1	178.2140	0.000	1	178.2285	0.000	2	178.2285	0.000	2
941	474	899	0:SP2_SP-NON_SP3	N	C[5]	C	4:1:	4:4:2:1:	2:	C[5]-4:C-1:	C[5]-4:C[5]-4:N-2:H-1:	N-2:	N(C[5]C[5]2H)(C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	C(NC[5])	N(C[5]C[5]2H)(C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	C(NC[5])	178.2430	0.000	1	178.2430	0.000	1	178.2430	0.000	1	178.2430	0.000	1	178.2285	0.000	2	178.2285	0.000	2
941	474	930	0:SP2_SP2_SP3	N	C[5,6]	C	4:3:	4:3:2:2:	3:2:1:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5,6])(H)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[5,6])(H)	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	122.0635	2.565	2	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5,6]	C	4:3:	4:4:2:2:	2:3:2:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	N-2:C-3:C-2:	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	C(NC[5,6])(CCO)(CN)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	C(NC[5,6])(CCO)(CN)	123.1960	0.000	1	123.1960	0.000	1	123.1960	0.000	1	123.1960	0.000	1	122.0635	2.565	2	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	3:3:2:1:	3:2:4:	C[5]-4:C-3:	C[5]-3:C[5]-3:N-2:H-1:	C[6a]-3:N-2:C-4:	N(C[5]C[5]2H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H)	C(C[6a]C[6a]2)(NC[5])(CH3)	N(C[5]C[5]2H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(NC[5])(CH3)	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	3:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:N-2:H-1:	N-2:N-3:O-1:	N(C[5]C[5,6a]C[5]H)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C(NC[5])(NCH)(O)	N(C[5]C[5,6a]C[5]H)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C(NC[5])(NCH)(O)	123.7130	0.000	1	123.7130	0.000	1	123.7130	0.000	1	123.7130	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:N-2:H-1:	N-2:C-4:H-1:	N(C[5]C[5,6a]C[5]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C(NC[5])(CCCH)(H)	N(C[5]C[5,6a]C[5]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C(NC[5])(CCCH)(H)	116.6940	0.000	1	116.6940	0.000	1	116.6940	0.000	1	116.6940	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C(C[5a]C[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C(C[5a]C[5a]S[5a])(NC[5])(H)	117.6130	0.000	1	117.6130	0.000	1	117.6130	0.000	1	117.6130	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:3:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:N-2:H-1:	N-2:O-2:O-1:	N(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H)	C(NC[5])(OC)(O)	N(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H){1|C<4>,1|H<1>}	C(NC[5])(OC)(O)	123.0050	0.000	1	123.0050	0.000	1	120.8370	9.400	2	120.8370	9.400	2	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:3:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:N-2:H-1:	N-2:O-2:O-1:	N(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	C(NC[5])(OC)(O)	N(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|O<1>,1|O<2>}	C(NC[5])(OC)(O)	118.6690	0.000	1	118.6690	0.000	1	120.8370	9.400	2	120.8370	9.400	2	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:3:3:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:N[5]-3:N-3:N-2:	N-2:C-4:O-1:	N(C[5]C[5]N[5]N)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	C(NC[5])(CH3)(O)	N(C[5]C[5]N[5]N)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	C(NC[5])(CH3)(O)	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:N-2:H-1:	N-2:O-2:O-1:	N(C[5]C[5]2H)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	C(NC[5])(OC)(O)	N(C[5]C[5]2H)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	C(NC[5])(OC)(O)	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:N-2:H-1:	N-2:C-4:O-1:	N(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	C(NC[5])(CCl3)(O)	N(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	C(NC[5])(CCl3)(O)	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	C(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	C(C[6a]C[6a]N[6a])(NC[5])(H)	116.5332	0.637	6	116.5332	0.406	6	117.0491	2.202	7	117.0491	2.202	7	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HH)2(NC)(H){4|H<1>}	C(C[6a]C[6a]2)(NC[5])(H)	120.1450	0.000	1	120.1450	0.000	1	117.0491	2.202	7	117.0491	2.202	7	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:3:2:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:N-2:	N-2:O-2:O-1:	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC)	C(NC[5])(OC)(O)	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(COO)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[5])(OC)(O)	121.6570	0.000	1	121.6570	0.000	1	120.6170	2.163	2	120.6170	2.163	2	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:3:2:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:N-2:	N-2:O-2:O-1:	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]HH)2(CC[6a]O)(NC)	C(NC[5])(OC)(O)	N(C[5]C[5]2C)(COO)	C[5](C[5]C[5]HH)2(CC[6a]O)(NC){4|H<1>}	C(NC[5])(OC)(O)	119.5770	0.000	1	119.5770	0.000	1	120.6170	2.163	2	120.6170	2.163	2	119.3810	7.572	19	119.6365	7.594	21
941	474	930	0:SP2_SP2_SP3	N	C[5]	C	4:3:	4:4:3:2:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:N-2:	C[5]-4:N-2:O-1:	N(C[5]C[5]2C)(CC[5]O)	C[5](C[5]C[5,6a]HH)2(CNO)(NC)	C(C[5]C[5]N[5]H)(NC[5])(O)	N(C[5]C[5]2C)(CC[5]O)	C[5](C[5]C[5,6a]HH)2(CNO)(NC){2|C<3>}	C(C[5]C[5]N[5]H)(NC[5])(O)	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	119.3810	7.572	19	119.6365	7.594	21
941	474	941	0:SP2_SP2_SP3	N	C[5,5]	N	4:2:	3:4:4:2:	3:2:	C[5,5]-4:N-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[6a]-3:N-2:	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	N(C[6a]C[6a]2)(NC[5,5])	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[5,5])	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	113.5210	0.553	2	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5,5]	N	4:2:	4:4:2:1:	2:1:	C[5,5]-4:N-2:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	N-2:N-1:	N(C[5,5]C[5,5,6]2H)(NN)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	N(NC[5,5])(N)	N(C[5,5]C[5,5,6]2H)(NN)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	N(NC[5,5])(N)	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	113.5210	0.553	2	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5,6]	N	4:2:	3:4:3:2:	2:1:	C[5,6]-4:N-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	N-2:N-1:	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	N(NC[5,6])(N)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N(NC[5,6])(N)	114.3710	0.000	1	114.3100	0.007	2	114.3100	0.007	2	114.3100	0.007	2	114.3100	0.007	2	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5,6]	N	4:2:	3:4:3:2:	2:1:	C[5,6]-4:N-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	N-2:N-1:	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	N(NC[5,6])(N)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	N(NC[5,6])(N)	114.2490	0.000	1	114.3100	0.007	2	114.3100	0.007	2	114.3100	0.007	2	114.3100	0.007	2	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	3:3:4:2:	2:1:	C[5]-4:N-2:	C[5,6a]-3:C[5]-3:C-4:N-2:	N-2:N-1:	N(C[5]C[5,6a]C[5]C)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	N(NC[5])(N)	N(C[5]C[5,6a]C[5]C)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	N(NC[5])(N)	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	3:4:2:1:	2:1:	C[5]-4:N-2:	C[5,5a]-3:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5a]C[5]H)(NN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5a]C[5]H)(NN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	N(NC[5])(N)	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	115.6657	3.890	3	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	3:4:2:1:	2:1:	C[5]-4:N-2:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,6a]C[5,5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	N(NC[5])(N)	N(C[5]C[5,6a]C[5,5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	N(NC[5])(N)	115.1720	0.000	1	115.1720	0.000	1	115.1720	0.000	1	115.6657	3.890	3	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	3:4:2:1:	2:1:	C[5]-4:N-2:	C[5,6a]-3:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,6a]C[5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,6a]C[5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	N(NC[5])(N)	113.9870	0.000	1	113.9870	0.000	1	113.9870	0.000	1	115.6657	3.890	3	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:2:3:2:	2:1:	C[5]-4:N-2:	C[5]-4:O[5]-2:C-3:N-2:	N-2:N-1:	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	N(NC[5])(N)	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	N(NC[5])(N)	116.4800	1.150	2	117.0833	1.753	3	117.0833	1.753	3	117.0833	1.753	3	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:2:3:2:	2:1:	C[5]-4:N-2:	C[5]-4:O[5]-2:C-3:N-2:	N-2:N-1:	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	N(NC[5])(N)	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	N(NC[5])(N)	118.2900	0.000	1	117.0833	1.753	3	117.0833	1.753	3	117.0833	1.753	3	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:2:4:2:	2:1:	C[5]-4:N-2:	C[5]-4:O[5]-2:C-4:N-2:	N-2:N-1:	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	N(NC[5])(N)	N(C[5]C[5]O[5]C)(NN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	N(NC[5])(N)	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:2:4:2:	2:3:	C[5]-4:N-2:	C[5]-4:O[5]-2:C-4:N-2:	N-2:C-3:	N(C[5]C[5]O[5]C)(NC)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	N(NC[5])(CNO)	N(C[5]C[5]O[5]C)(NC)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	N(NC[5])(CNO)	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5,5]-4:N[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N(NC[5])(N)	115.0525	0.463	4	115.0525	0.215	4	114.8350	0.250	6	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5,5]-4:N[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5]N[5]H)(NN)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	N(NC[5])(N)	114.4000	0.201	2	114.4000	0.040	2	114.8350	0.250	6	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5,6]-4:C[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H){1|H<1>,2|C<4>}	N(NC[5])(N)	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5]2H)(NN)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	N(NC[5])(N)	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:N[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	N(NC[5])(N)	117.4830	0.000	1	115.7395	1.956	4	115.7395	1.956	4	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:N[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	N(NC[5])(N)	114.6360	0.423	2	115.7395	1.956	4	115.7395	1.956	4	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:N[5]-3:N-2:H-1:	N-2:N-1:	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]N[5]H)(NN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	N(NC[5])(N)	116.2030	0.000	1	115.7395	1.956	4	115.7395	1.956	4	115.1163	0.863	12	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:2:2:	2:1:	C[5]-4:N-2:	C[5,6]-4:N[5]-3:N-2:N-2:	N-2:N-1:	N(C[5]C[5,6]N[5]N)(NN)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	N(NC[5])(N)	N(C[5]C[5,6]N[5]N)(NN)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	N(NC[5])(N)	115.4385	1.059	2	115.4385	1.121	2	115.4385	1.121	2	115.4385	1.121	2	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:4:2:	2:1:	C[5]-4:N-2:	C[5,6]-4:C[5]-3:C-4:N-2:	N-2:N-1:	N(C[5]C[5,6]C[5]C)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	N(NC[5])(N)	N(C[5]C[5,6]C[5]C)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	N(NC[5])(N)	114.1385	0.148	2	114.1385	0.022	2	114.1385	0.022	2	114.4770	0.966	4	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:4:2:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-3:C-4:N-2:	N-2:N-1:	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	N(NC[5])(N)	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	N(NC[5])(N)	113.7160	0.000	1	113.7160	0.000	1	114.8155	2.418	2	114.4770	0.966	4	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:3:4:2:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-3:C-4:N-2:	N-2:N-1:	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	N(NC[5])(N)	N(C[5]C[5]2C)(NN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	N(NC[5])(N)	115.9150	0.000	1	115.9150	0.000	1	114.8155	2.418	2	114.4770	0.966	4	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[3,5]-4:C[5,5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[3,5]C[5,5]H)(NN)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H)	N(NC[5])(N)	N(C[5]C[3,5]C[5,5]H)(NN)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N(NC[5])(N)	115.8880	0.636	2	115.8880	0.405	2	115.8880	0.405	2	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[3,5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[3,5]C[5]H)(NN)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	N(NC[5])(N)	N(C[5]C[3,5]C[5]H)(NN)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	N(NC[5])(N)	116.5310	0.000	1	116.5310	0.000	1	116.5310	0.000	1	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5,5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(NC[5])(N)	115.9513	0.418	3	115.9513	0.175	3	116.0333	0.304	6	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5,5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	N(NC[5])(N)	116.0790	0.000	1	116.0790	0.000	1	116.0333	0.304	6	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5,5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	N(NC[5])(N)	115.3820	0.000	1	115.3820	0.000	1	116.0333	0.304	6	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5,5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,5]C[5]H)(NN)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	N(NC[5])(N)	116.8850	0.000	1	116.8850	0.000	1	116.0333	0.304	6	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5,6]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	N(NC[5])(N)	N(C[5]C[5,6]C[5]H)(NN)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	N(NC[5])(N)	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	N(NC[5])(N)	115.3927	1.447	12	115.3927	2.095	12	115.3545	2.220	18	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	N(NC[5])(N)	115.3665	0.196	2	115.0130	0.394	3	115.3545	2.220	18	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	N(NC[5])(N)	114.3060	0.000	1	115.0130	0.394	3	115.3545	2.220	18	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	N(NC[5])(N)	118.3310	0.000	1	118.3310	0.000	1	115.3545	2.220	18	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	941	0:SP2_SP2_SP3	N	C[5]	N	4:2:	4:4:2:1:	2:1:	C[5]-4:N-2:	C[5]-4:C[5]-4:N-2:H-1:	N-2:N-1:	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	N(NC[5])(N)	N(C[5]C[5]2H)(NN)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	N(NC[5])(N)	114.1495	1.331	2	114.1495	1.773	2	115.3545	2.220	18	115.5915	1.589	28	115.3776	1.845	55	115.2785	1.876	59
941	474	952	0:SP2_SP3_SP3	N	C[5]	S	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:S-4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	124.1130	0.000	1	124.1130	0.000	1	124.1130	0.000	1	122.7907	2.589	3	122.7907	2.589	3	122.7907	2.589	3
941	474	952	0:SP2_SP3_SP3	N	C[5]	S	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:S-4:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	123.2600	0.000	1	123.2600	0.000	1	122.1295	2.556	2	122.7907	2.589	3	122.7907	2.589	3	122.7907	2.589	3
941	474	952	0:SP2_SP3_SP3	N	C[5]	S	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:S-4:	C[5]-4:C[5]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]HH)2(NS)(H)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.9990	0.000	1	120.9990	0.000	1	122.1295	2.556	2	122.7907	2.589	3	122.7907	2.589	3	122.7907	2.589	3
941	474	983	0:SP2_SP1_SP3	N	C[5]	C	4:2:	3:3:3:2:	2:1:	C[5]-4:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	N-2:S-1:	N(C[5]C[5,6a]C[6a]C[5])(CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	C(NC[5])(S)	N(C[5]C[5,6a]C[6a]C[5])(CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC){3|H<1>,5|C<3>}	C(NC[5])(S)	138.8020	0.000	1	138.8020	0.000	1	138.8020	0.000	1	138.8020	0.000	1	139.6700	1.507	2	139.6700	1.507	2
941	474	983	0:SP2_SP1_SP3	N	C[5]	C	4:2:	3:4:2:1:	2:1:	C[5]-4:C-2:	C[5,6a]-3:C[5]-4:N-2:H-1:	N-2:O-1:	N(C[5]C[5,6a]C[5]H)(CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	C(NC[5])(O)	N(C[5]C[5,6a]C[5]H)(CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	C(NC[5])(O)	140.5380	0.000	1	140.5380	0.000	1	140.5380	0.000	1	140.5380	0.000	1	139.6700	1.507	2	139.6700	1.507	2
941	474	992	0:SP2_SP3_SP3	N	C[5]	P	4:4:	3:4:2:1:	3:2:4:4:	C[5]-4:P-4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[6a]-3:N-2:B-4:C-4:	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	P(C[6a]C[6a]2)(NC[5])(BH3)(CC3)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	P(C[6a]C[6a]2)(NC[5])(BH3)(CC3)	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1
941	478	930	0:SP2_SP2_SP3	N	C[4]	C	4:3:	4:3:2:1:	4:2:1:	C[4]-4:C-3:	C[4,6]-4:C[4]-3:N-2:H-1:	C-4:N-2:O-1:	N(C[4]C[4,6]C[4]H)(CCO)	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NC)(H)	C(CC[6a]HH)(NC[4])(O)	N(C[4]C[4,6]C[4]H)(CCO)	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NC)(H){1|C<3>,1|C<4>}	C(CC[6a]HH)(NC[4])(O)	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	120.1580	0.113	3	120.1580	0.113	3
941	478	930	0:SP2_SP2_SP3	N	C[4]	C	4:3:	4:4:3:2:	4:2:1:	C[4]-4:C-3:	C[4]-4:C[4]-4:C-3:N-2:	C[5]-4:N-2:O-1:	N(C[4]C[4]2C)(CC[5]O)	C[4](C[4]C[4]HH)2(CNO)(NC)	C(C[5]C[5]N[5]H)(NC[4])(O)	N(C[4]C[4]2C)(CC[5]O)	C[4](C[4]C[4]HH)2(CNO)(NC){2|H<1>}	C(C[5]C[5]N[5]H)(NC[4])(O)	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	120.1580	0.113	3	120.1580	0.113	3
941	478	930	0:SP2_SP2_SP3	N	C[4]	C	4:3:	4:4:4:2:	3:2:1:	C[4]-4:C-3:	C[4]-4:C[4]-4:C-4:N-2:	N-3:N-2:O-1:	N(C[4]C[4]2C)(CNO)	C[4](C[4]O[4]HH)2(CCHN)(NC)	C(NC[6a]H)(NC[4])(O)	N(C[4]C[4]2C)(CNO)	C[4](C[4]O[4]HH)2(CCHN)(NC)	C(NC[6a]H)(NC[4])(O)	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	120.1580	0.113	3	120.1580	0.113	3
941	478	941	0:SP2_SP2_SP3	N	C[4]	N	4:2:	4:3:2:1:	2:1:	C[4]-4:N-2:	C[4]-4:C[4]-3:N-2:H-1:	N-2:N-1:	N(C[4]C[4]2H)(NN)	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(NN)(H)	N(NC[4])(N)	N(C[4]C[4]2H)(NN)	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(NN)(H){1|C<4>,2|C<3>}	N(NC[4])(N)	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1
941	478	952	0:SP2_SP3_SP3	N	C[4,6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[4,6]-4:S-4:	C[4,6,6]-4:C[4,6,6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(C[4,6]C[4,6,6]2H)(SC[6a]OO)	C[4,6](C[4,6,6]C[6,6]S[4,6]C)(C[4,6,6]C[6,6]S[4,6]H)(NS)(H)	S(C[6a]C[6a]2)(NC[4,6])(O)2	N(C[4,6]C[4,6,6]2H)(SC[6a]OO)	C[4,6](C[4,6,6]C[6,6]S[4,6]C)(C[4,6,6]C[6,6]S[4,6]H)(NS)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(NC[4,6])(O)2	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1
941	486	930	0:SP2_SP2_SP3	N	C[3]	C	4:3:	4:4:2:1:	3:2:1:	C[3]-4:C-3:	C[3]-4:C[3]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[3]C[3]2H)(CC[6a]H)	C[3](C[3]C[3]HH)2(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	N(C[3]C[3]2H)(CC[6a]H)	C[3](C[3]C[3]HH)2(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	123.7370	0.000	1	123.7370	0.000	1	120.0643	6.571	4	120.0643	6.571	4	120.0643	6.571	4	120.0643	6.571	4
941	486	930	0:SP2_SP2_SP3	N	C[3]	C	4:3:	4:4:2:1:	3:2:1:	C[3]-4:C-3:	C[3]-4:C[3]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(C[3]C[3]2H)(CC[6a]H)	C[3](C[3]C[3]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[3])(H)	N(C[3]C[3]2H)(CC[6a]H)	C[3](C[3]C[3]HH)2(NC)(H)	C(C[6a]C[6a]2)(NC[3])(H)	118.8400	0.929	3	118.8400	0.864	3	120.0643	6.571	4	120.0643	6.571	4	120.0643	6.571	4	120.0643	6.571	4
941	486	941	0:SP2_SP2_SP3	N	C[3]	N	4:2:	4:3:4:2:	2:1:	C[3]-4:N-2:	C[3]-4:C[6a]-3:C[3]-4:N-2:	N-2:N-1:	N(C[3]C[6a]C[3]2)(NN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN)	N(NC[3])(N)	N(C[3]C[6a]C[3]2)(NN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(NN){2|H<1>,4|C<3>}	N(NC[3])(N)	114.3340	0.000	1	114.3340	0.000	1	114.3340	0.000	1	114.3340	0.000	1	114.3340	0.000	1	114.3340	0.000	1
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	2:1:1:1:	2:1:1:1:	C-4:C-4:	N-2:H-1:H-1:H-1:	N-2:H-1:H-1:H-1:	N(CH3)2	C(NC)(H)3	C(NC)(H)3	N(CH3)2	C(NC)(H)3	C(NC)(H)3	112.4589	9.230	20	112.4589	85.186	20	112.4589	85.186	20	112.4589	85.186	20	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:2:1:1:	3:2:1:1:	C-4:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:H-1:	N(CC[6a]HH)2	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)2	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)2	112.5282	1.301	6	112.5282	1.694	6	112.5282	1.694	6	112.5282	1.694	6	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:2:1:1:	4:2:1:1:	C-4:C-4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a,6a]2)(NC)(H)2	C(CHHS)(NC)(H)2	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a,6a]2)(NC)(H)2	C(CHHS)(NC)(H)2	112.6630	0.000	1	112.6630	0.000	1	112.2433	0.272	3	112.2433	0.272	3	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:2:1:1:	4:2:1:1:	C-4:C-4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC)(H)2	C(CHHN)(NC)(H)2	111.6600	0.000	1	111.6600	0.000	1	112.2433	0.272	3	112.2433	0.272	3	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:2:1:1:	4:2:1:1:	C-4:C-4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC)(H)2	C(CHHO)(NC)(H)2	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC)(H)2	C(CHHO)(NC)(H)2	112.4070	0.000	1	112.4070	0.000	1	112.2433	0.272	3	112.2433	0.272	3	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:4:2:1:	2:1:1:1:	C-4:C-4:	C[6a]-3:C-4:N-2:H-1:	N-2:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(NC)(H)3	N(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(NC)(H)3	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:4:2:1:	3:2:1:1:	C-4:C-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:H-1:	N(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)2	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	112.7360	2.184	2	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:4:2:1:	3:2:1:1:	C-4:C-4:	C[6a]-3:P-4:N-2:H-1:	C[6]-3:N-2:H-1:H-1:	N(CC[6a]HP)(CC[6]HH)	C(C[6a]C[6a]2)(PO3)(NC)(H)	C(C[6]C[6]2)(NC)(H)2	N(CC[6a]HP)(CC[6]HH)	C(C[6a]C[6a]2)(PO3)(NC)(H)	C(C[6]C[6]2)(NC)(H)2	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	112.7360	2.184	2	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:4:2:1:	3:3:2:1:	C-4:C-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-3:N-2:H-1:	N(CC[6a]CH)2	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CC[6a]CH)2	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CNO)(NC)(H)	114.3510	0.000	1	114.3510	0.000	1	114.3510	0.000	1	114.3510	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	3:4:2:1:	4:3:2:1:	C-4:C-4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:N-2:H-1:	N(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(CC[6a]HH)(CNO)(NC)(H)	N(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(CC[6a]HH)(CNO)(NC)(H)	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	2:1:1:1:	C-4:C-4:	C-4:N-2:H-1:H-1:	N-2:H-1:H-1:H-1:	N(CCHH)(CH3)	C(CHHN)(NC)(H)2	C(NC)(H)3	N(CCHH)(CH3)	C(CHHN)(NC)(H)2	C(NC)(H)3	120.8750	0.000	1	120.8750	0.000	1	120.8750	0.000	1	120.8750	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	3:4:2:1:	C-4:C-4:	C[5,5,6]-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	N(CC[5,5,6]HH)(CC[6a]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(NC)(H)2	C(C[6a]C[6a]2)(CCCH)(NC)(H)	N(CC[5,5,6]HH)(CC[6a]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(NC)(H)2	C(C[6a]C[6a]2)(CCCH)(NC)(H)	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CCHH)2	C(CCHH)(NC)(H)2	C(CCHH)(NC)(H)2	N(CCHH)2	C(CCHH)(NC)(H)2	C(CCHH)(NC)(H)2	114.3332	2.536	4	114.3332	6.431	4	114.6321	21.796	20	114.6948	20.789	21	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CCHH)2	C(CCHH)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2	C(CCHH)(NC)(H)2	C(CHHN)(NC)(H)2	115.0330	0.000	1	115.0330	0.000	1	114.6321	21.796	20	114.6948	20.789	21	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CCHH)2	C(CH3)(NC)(H)2	C(CH3)(NC)(H)2	N(CCHH)2	C(CH3)(NC)(H)2	C(CH3)(NC)(H)2	115.4213	11.229	4	115.4213	126.089	4	114.6321	21.796	20	114.6948	20.789	21	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	114.1811	0.876	10	114.1811	0.768	10	114.6321	21.796	20	114.6948	20.789	21	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	N(CCHH)2	C(CHHO)(NC)(H)2	C(CHHO)(NC)(H)2	N(CCHH)2	C(CHHO)(NC)(H)2	C(CHHO)(NC)(H)2	116.7790	0.000	1	116.7790	0.000	1	114.6321	21.796	20	114.6948	20.789	21	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:	P-4:N-2:H-1:H-1:	P-4:N-2:H-1:H-1:	N(CHHP)2	C(PC[6a]NiC)(NC)(H)2	C(PC[6a]NiC)(NC)(H)2	N(CHHP)2	C(PC[6a]NiC)(NC)(H)2	C(PC[6a]NiC)(NC)(H)2	115.9500	0.000	1	115.9500	0.000	1	115.9500	0.000	1	114.6948	20.789	21	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:2:1:1:	4:4:4:2:	C-4:C-4:	C[5]-4:N-2:H-1:H-1:	C-4:C-4:C-4:N-2:	N(CC[5]HH)(CC3)	C(C[5]C[5]2Fe)(NC)(H)2	C(CHHN)2(CH3)(NC)	N(CC[5]HH)(CC3)	C(C[5]C[5]2Fe)(NC)(H)2	C(CHHN)2(CH3)(NC)	117.8560	0.000	1	117.8560	0.000	1	117.8560	0.000	1	117.8560	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:3:2:1:	4:2:1:1:	C-4:C-4:	C-4:C-3:N-2:H-1:	C-4:N-2:H-1:H-1:	N(CCCH)(CCHH)	C(CCHH)(CHH)(NC)(H)	C(CHHN)(NC)(H)2	N(CCCH)(CCHH)	C(CCHH)(CHH)(NC)(H)	C(CHHN)(NC)(H)2	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	490	0:SP2_SP3_SP3	N	C	C	4:4:	4:4:2:1:	4:4:2:1:	C-4:C-4:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	N(CCCH)2	C(CH3)2(NC)(H)	C(CH3)2(NC)(H)	N(CCCH)2	C(CH3)2(NC)(H)	C(CH3)2(NC)(H)	118.8330	0.000	1	118.8330	0.000	1	118.8330	0.000	1	118.8330	0.000	1	113.7232	37.464	60	113.7232	37.464	60
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	N-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-2:	N(C[6a]N[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](N[6a]C[6a])2(NC)	N(C[6a]N[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](N[6a]C[6a])2(NC){1|C<3>,1|N<3>,1|O<2>}	124.8285	0.260	2	124.8285	0.067	2	124.8285	0.067	2	124.8285	0.067	2	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	122.0720	0.000	1	122.0720	0.000	1	119.7765	10.957	8	119.7765	10.957	8	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|S<2>}	117.5255	0.025	2	119.4486	11.780	7	119.7765	10.957	8	119.7765	10.957	8	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CH3)	C(NC[6a])(H)3	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	120.2178	3.883	5	119.4486	11.780	7	119.7765	10.957	8	119.7765	10.957	8	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC){1|C<3>,2|H<1>}	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:N-2:	N(C[6a]N[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a])2(NC)	N(C[6a]N[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a])2(NC){1|Cl<1>,1|N<2>,1|N<3>}	123.6200	0.000	1	123.6200	0.000	1	123.6200	0.000	1	123.6200	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[6a]N[6a])(CCHH)	C(NC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC)	N(C[6a]C[6a]N[6a])(CCHH)	C(NC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	119.4100	0.000	1	119.4100	0.000	1	119.4100	0.000	1	121.7150	10.626	2	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:N-2:	N(C[6a]N[6a]2)(CCHH)	C(NC[6a])(CHHN)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	N(C[6a]N[6a]2)(CCHH)	C(NC[6a])(CHHN)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	121.7150	10.626	2	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC)	N(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC){2|H<1>,3|C<3>}	123.8240	0.000	1	123.8240	0.000	1	122.8045	2.079	2	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC)	N(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC){1|N<2>,2|C<3>,2|H<1>}	121.7850	0.000	1	121.7850	0.000	1	122.8045	2.079	2	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	127.3660	0.195	2	124.8227	19.425	3	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	119.7360	0.000	1	124.8227	19.425	3	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCFF)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCFF)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	126.3030	0.000	1	126.3030	0.000	1	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	121.3460	0.000	1	121.3460	0.000	1	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	120.0320	1.935	2	121.0793	5.162	3	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|H<1>,2|C<3>}	123.1740	0.000	1	121.0793	5.162	3	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NC){1|C<3>,1|H<1>,1|O<2>}	124.6790	0.000	1	124.6790	0.000	1	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	121.8107	1.447	3	121.8107	2.094	3	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|O<2>}	124.4400	0.000	1	124.4400	0.000	1	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|O<2>}	123.5200	0.000	1	122.8658	0.223	4	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	122.6477	0.221	3	122.8658	0.223	4	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	116.4468	0.624	4	116.4468	0.389	4	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	126.6910	0.000	1	126.6910	0.000	1	121.9930	12.485	22	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CHHP)	C(NC[6a])(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CHHP)	C(NC[6a])(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|C<4>}	120.6585	2.268	2	121.0430	3.015	3	121.0430	3.015	3	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	N-2:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CHHP)	C(NC[6a])(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CHHP)	C(NC[6a])(PSeCC)(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	121.8120	0.000	1	121.0430	3.015	3	121.0430	3.015	3	121.9476	10.548	27	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	125.6040	0.000	1	125.6040	0.000	1	124.4040	1.935	4	124.4040	1.935	4	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	124.0040	1.394	3	124.0040	1.943	3	124.4040	1.935	4	124.4040	1.935	4	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	122.2255	4.276	2	122.2255	18.283	2	122.2255	18.283	2	122.2255	18.283	2	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	N-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC3)	C(NC[6a])(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC3)	C(NC[6a])(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	122.6520	0.000	1	120.3907	3.847	3	120.9875	3.990	4	120.9875	3.990	4	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|H<1>,1|N<2>,1|N<3>}	119.2600	0.156	2	120.3907	3.847	3	120.9875	3.990	4	120.9875	3.990	4	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:N-2:	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	122.7780	0.000	1	122.7780	0.000	1	120.9875	3.990	4	120.9875	3.990	4	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	124.7307	0.872	3	124.7307	0.761	3	124.7307	0.761	3	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	123.3490	0.000	1	119.5330	7.045	4	119.5084	15.746	7	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	118.2610	0.927	3	119.5330	7.045	4	119.5084	15.746	7	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	121.1580	0.000	1	121.1580	0.000	1	119.5084	15.746	7	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|H<1>,1|N<3>}	124.5120	0.000	1	118.6345	69.090	2	119.5084	15.746	7	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	112.7570	0.000	1	118.6345	69.090	2	119.5084	15.746	7	121.2295	15.589	11	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:3:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:C-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	121.9330	0.000	1	121.9330	0.000	1	121.9330	0.000	1	121.9330	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(NC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(NC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	121.1520	0.000	1	121.1520	0.000	1	121.1520	0.000	1	123.0854	2.886	5	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	124.7490	0.000	1	124.7490	0.000	1	124.2653	0.525	3	123.0854	2.886	5	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	124.6150	0.000	1	124.6150	0.000	1	124.2653	0.525	3	123.0854	2.886	5	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	123.4320	0.000	1	123.4320	0.000	1	124.2653	0.525	3	123.0854	2.886	5	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	N-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CCHN)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(NC)	N(C[6a]C[6a]2)(CCHN)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	123.0854	2.886	5	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:2:4:3:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:N-2:C-4:C-3:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	N(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,2|H<1>}	124.6540	0.000	1	124.6540	0.000	1	124.6540	0.000	1	124.6540	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	3:4:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	3:4:	4:2:4:1:	3:2:2:	C[6a]-3:C-4:	C-4:N-2:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-2:	N(C[6a]C[5a,6a]N[6a])(CCCH)	C(CC[6]HH)(NC[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	N(C[6a]C[5a,6a]N[6a])(CCCH)	C(CC[6]HH)(NC[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	643	0:SP2_SP2_SP3	N	C	C[6a]	4:3:	3:3:3:2:	3:3:2:	C-4:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]C[5]2)(C[6a]C[6a]2)	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[6a](C[6a]C[6a]F)2(NC)	N(CC[6a]C[5]2)(C[6a]C[6a]2)	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[6a](C[6a]C[6a]F)2(NC){1|C<3>,2|F<1>}	128.5530	0.000	1	128.5530	0.000	1	128.5530	0.000	1	128.5530	0.000	1	121.8806	11.735	73	121.8806	11.735	73
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	N-2:H-1:H-1:H-1:	C[5a,6a]-3:O[5a]-2:N-2:	N(C[5a]C[5a,6a]O[5a])(CH3)	C(NC[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	N(C[5a]C[5a,6a]O[5a])(CH3)	C(NC[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	N-2:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:N-2:	N(C[5a]C[5a]S[5a])(CCHH)	C(NC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC)	N(C[5a]C[5a]S[5a])(CCHH)	C(NC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(CCHH)	C(NC[5a])(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC)	N(C[5a]C[5a,6a]N[5a])(CCHH)	C(NC[5a])(CHHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	119.4708	0.932	4	119.4708	0.868	4	119.4708	0.868	4	119.4708	0.868	4	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:1:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(CCCH)	C(NC[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC)	N(C[5a]C[5a]N[5a])(CCCH)	C(NC[5a])(CH3)2(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>}	124.8100	0.649	2	124.8100	0.421	2	124.8100	0.421	2	123.4760	5.549	3	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:1:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(CCCH)	C(NC[5a])(CH3)2(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC)	N(C[5a]C[5a]N[5a])(CCCH)	C(NC[5a])(CH3)2(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC){1|Rh<6>,3|C<3>}	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	123.4760	5.549	3	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:2:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a,6a]-3:O[5a]-2:N-2:	N(C[5a]C[5a,6a]O[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	N(C[5a]C[5a,6a]O[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a,5a]-3:C[5a,6a]-3:N-2:	N(C[5a]C[5a,5a]C[5a,6a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC)	N(C[5a]C[5a,5a]C[5a,6a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC){1|H<1>,2|N<2>,3|C<3>}	127.6670	0.000	1	127.6670	0.000	1	127.6670	0.000	1	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC)	N(C[5a]C[5a,6a]C[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC){1|H<1>,1|S<2>,3|C<3>}	129.3080	0.000	1	129.3080	0.000	1	129.3080	0.000	1	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC)	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	124.9730	0.000	1	124.9730	0.000	1	126.6100	4.737	3	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC)	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	129.0800	0.000	1	129.0800	0.000	1	126.6100	4.737	3	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC)	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC){1|C<3>}	125.7770	0.000	1	125.7770	0.000	1	126.6100	4.737	3	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	N[5,5a]-3:C[5a]-3:N-2:	N(C[5a]N[5,5a]C[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC)	N(C[5a]N[5,5a]C[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC){1|H<1>,1|S<2>,4|C<3>}	123.1530	0.000	1	123.1530	0.000	1	123.1530	0.000	1	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	3:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	N[5a,5a]-3:C[5a]-3:N-2:	N(C[5a]N[5a,5a]C[5a])(CC3)	C(NC[5a])(CCHH)(CH3)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC)	N(C[5a]N[5a,5a]C[5a])(CC3)	C(NC[5a])(CCHH)(CH3)2	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC){4|C<3>}	125.7785	0.216	2	125.7785	0.047	2	125.7785	0.047	2	126.4394	4.431	8	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	2:4:4:4:	4:3:2:	C[5a]-3:C-4:	N-2:C-4:C-4:C-4:	B[5a]-4:N[5a]-3:N-2:	N(C[5a]B[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC)	N(C[5a]B[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC){1|C<4>,1|H<1>,4|C<3>}	128.5220	0.000	1	128.5220	0.000	1	128.5220	0.000	1	128.5220	0.000	1	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	3:2:1:1:	2:2:2:	C[5a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[5a]-2:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N(C[5a]N[5a]S[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|C<4>}	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[5a,6]-3:N[5a]-3:N-2:	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC)	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>,2|C<4>}	118.9430	0.000	1	118.9430	0.000	1	118.9430	0.000	1	118.9430	0.000	1	123.3119	13.509	22	123.3119	13.509	22
941	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:	3:2:4:1:	2:2:2:	C[5a]-3:C-4:	C[6a]-3:N-2:C-4:H-1:	N[5a]-2:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])(CC[6a]CH)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	N(C[5a]N[5a]S[5a])(CC[6a]CH)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	123.3119	13.509	22	123.3119	13.509	22