999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	118.3385	3.203	2	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[6]-3:N[5]-4:N[5]-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	118.3385	3.203	2	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	960	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:N[5]-2:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-3:	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5])	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	N[5](N[5,6]C[5]C[6]2)(C[5]C[5]O)	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]){1|O<1>,2|O<2>,5|H<1>}	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	N[5](N[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.4885	0.134	2
999	474	960	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:2:4:4:	4:4:3:2:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:N[5]-4:C-3:O-2:	C[5]-3:N[5]-4:	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	N[5](C[5]C[6a]C[5])(N[5]C[5]CC)	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]CC){1|H<1>,1|O<2>,4|C<3>}	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.4885	0.134	2
999	474	976	5:SP3_SP2_SP3	N[5]	C[5]	O[5]	4:4:2:1:	3:3:4:2:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	N[5]-4:C[5]-3:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	O[5](N[5]C[5]CH)(C[5]N[5]N)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	O[5](N[5]C[5]CH)(C[5]N[5]N){2|C<3>}	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1
999	474	976	5:SP3_SP3_SP3	N[5,6]	C[5,6]	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-4:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	100.3930	0.000	1	100.3930	0.000	1	100.3930	0.000	1	100.3930	0.000	1	100.3930	0.000	1	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5,6]	C[5,6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	106.5555	0.050	2	106.5555	0.003	2	106.5555	0.003	2	106.5555	0.003	2	106.5555	0.003	2	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5,6]	O[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	106.6190	5.760	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5,6]	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH){2|C<4>,2|H<1>}	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.6190	5.760	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5,6]	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC){2|C<4>,2|H<1>}	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	106.6190	5.760	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5]	O[5]	4:2:4:1:	3:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	O[5](C[5]C[5]HS)(N[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5]HS)(N[5]C[5]CH){1|C<3>,1|S<4>,2|H<1>}	100.5590	0.000	1	100.5590	0.000	1	100.5590	0.000	1	100.5590	0.000	1	103.3627	6.705	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-4:C-4:C-4:	C[5]-4:N[5]-4:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	O[5](C[5]C[5]HH)(N[5]C[5]CH)	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	O[5](C[5]C[5]HH)(N[5]C[5]CH){2|C<4>,2|H<1>}	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	103.3627	6.705	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5]	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:O[5]-2:H-1:H-1:	B[5]-4:N[5]-4:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C[5](N[5]O[5]CC)(O[5]B[5])(H)2	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C[5](N[5]O[5]CC)(O[5]B[5])(H)2{2|C<3>}	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC){2|H<1>,4|C<3>}	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	103.3627	6.705	3	104.8277	8.329	9
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-2:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.8385	1.616	2	111.8385	2.611	2	111.8385	2.611	2	111.8385	2.611	2	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CCHH)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CCHH){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.3620	0.011	2	111.3620	0.000	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CF3)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CF3){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	110.7325	3.976	2	110.7325	15.809	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFFH)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFFH){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.1855	1.780	2	111.1855	3.168	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFHH)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFHH){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.5000	0.042	2	111.5000	0.002	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5]	C[4,5]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-4:	N[5]-4:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH)	H(N[5]C[4,5]C[5]H)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH){2|C<3>,8|H<1>}	H(N[5]C[4,5]C[5]H)	109.7100	1.368	2	109.7100	1.870	2	109.7100	1.870	2	109.7100	1.870	2	109.7100	1.870	2	111.0547	2.648	12
999	486	490	0:SP3_SP3_SP3	N[5]	C[3,5]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1
999	486	951	0:SP3_SP-NON_SP3	N[5]	C[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	N[5]-4:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	H(N[5]C[3,5]C[5]C)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	H(N[5]C[3,5]C[5]C)	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1
999	490	490	0:SP3_SP3_SP3	N[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2	C(N[5,6]C[5,6]2C)(H)3	C(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2{1|C<4>,8|H<1>}	C(N[5,6]C[5,6]2C)(H)3	C(N[5,6]C[5,6]2C)(H)3	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.1273	0.051	4	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5,6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	N[5,6]-4:C-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3)	C(N[5,6]C[5,6]2C)(CH3)(H)2	C(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	C(N[5,6]C[5,6]2C)(CH3)(H)2	C(N[5,6]C[5,6]2C)(H)3	106.1650	0.259	3	106.1650	0.067	3	106.1650	0.067	3	106.1650	0.067	3	106.1273	0.051	4	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-2:C[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5])2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5])2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	109.0410	0.000	1	109.0410	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2{3|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.1890	0.000	1	107.1890	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.7590	0.000	1	107.7590	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.7870	0.000	1	107.7870	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.3250	0.000	1	107.3250	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	109.6690	0.395	2	109.6690	0.156	2	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	109.2125	0.497	2	109.2125	0.247	2	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	109.4845	0.738	2	109.4845	0.544	2	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	110.3600	0.000	1	110.3600	0.000	1	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C(N[5]C[5,6a]Ga[5]C)(H)3	C(N[5]C[5,6a]Ga[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]Ga[5]C)(H)3	C(N[5]C[5,6a]Ga[5]C)(H)3	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(N[5]C[5,6]O[5]C)(H)3	C(N[5]C[5,6]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5]C)(H)3	C(N[5]C[5,6]O[5]C)(H)3	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.1663	0.596	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C(N[5]C[5]N[5]C)(H)3	C(N[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	C(N[5]C[5]N[5]C)(H)3	C(N[5]C[5]N[5]C)(H)3	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.1663	0.596	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2	C(N[5]Ga[5]O[5]C)(H)3	C(N[5]Ga[5]O[5]C)(H)3	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2{1|N<3>,2|C<4>}	C(N[5]Ga[5]O[5]C)(H)3	C(N[5]Ga[5]O[5]C)(H)3	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	108.1663	0.596	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	C(N[5]C[5]O[5]C)(CH3)2(H)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	C(N[5]C[5]O[5]C)(CH3)2(H)	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	108.0205	0.442	2	108.0205	0.195	2	109.6817	8.376	3	109.6817	8.376	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHN)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHN)(H)2	113.0040	0.000	1	113.0040	0.000	1	109.6817	8.376	3	109.6817	8.376	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	108.0060	0.000	1	108.0060	0.000	1	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	109.0910	0.000	1	109.0910	0.000	1	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|H<1>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	109.2945	0.122	2	109.2945	0.015	2	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	108.7210	0.000	1	108.7210	0.000	1	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2	C(N[5]B[5,6,6]C[5]C)(H)3	C(N[5]B[5,6,6]C[5]C)(H)3	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2{4|C<4>,6|H<1>}	C(N[5]B[5,6,6]C[5]C)(H)3	C(N[5]B[5,6,6]C[5]C)(H)3	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{1|B<3>,1|B<4>,2|C<3>}	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	108.8970	0.102	2	108.7480	0.072	3	108.7480	0.072	3	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	108.4500	0.000	1	108.7480	0.072	3	108.7480	0.072	3	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	109.2570	0.279	3	109.2570	0.078	3	109.1895	0.070	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	108.9870	0.000	1	108.9870	0.000	1	109.1895	0.070	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.0440	0.000	1	107.0440	0.000	1	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	108.7140	0.044	2	108.7140	0.002	2	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.9130	0.000	1	107.9130	0.000	1	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.2803	0.329	3	107.2803	0.108	3	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.8230	0.000	1	107.8230	0.000	1	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]CH)2(CH3)2{1|Fe<10>,2|C<4>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	107.6560	0.000	1	107.6560	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	108.5730	0.000	1	108.5730	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	109.7900	0.000	1	109.7900	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	107.2270	0.000	1	107.2270	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|O<2>,3|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	109.9620	0.000	1	109.9620	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	108.5532	0.489	4	108.5532	0.239	4	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{1|F<1>,3|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	110.4723	1.494	3	109.4704	0.773	13	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{4|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	109.1698	0.315	10	109.4704	0.773	13	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	109.3170	0.400	2	109.3170	0.160	2	109.0973	0.182	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	108.8775	0.441	2	108.8775	0.194	2	109.0973	0.182	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	109.1440	0.000	1	109.1440	0.000	1	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	108.9250	0.000	1	108.9250	0.000	1	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	108.3765	0.207	2	108.3765	0.043	2	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|H<1>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	107.8040	0.000	1	107.8040	0.000	1	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]In[5,5]C[5]C)(H)3	C(N[5]In[5,5]C[5]C)(H)3	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]In[5,5]C[5]C)(H)3	C(N[5]In[5,5]C[5]C)(H)3	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5]S[5]ClS)(C[5]C[5]HH)(CH3)2	C(N[5]In[5]C[5]C)(H)3	C(N[5]In[5]C[5]C)(H)3	N[5](In[5]S[5]ClS)(C[5]C[5]HH)(CH3)2{2|H<1>}	C(N[5]In[5]C[5]C)(H)3	C(N[5]In[5]C[5]C)(H)3	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C(N[5]B[5]C[5]C)(H)3	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCH)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCH)(H)2	C(N[5]C[5]2C)(H)3	110.1930	0.000	1	110.1930	0.000	1	110.4750	0.493	5	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCO)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCO)(H)2	C(N[5]C[5]2C)(H)3	109.4970	0.000	1	109.4970	0.000	1	110.4750	0.493	5	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(COO)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(COO)(H)2	C(N[5]C[5]2C)(H)3	110.8950	0.450	3	110.8950	0.203	3	110.4750	0.493	5	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH){4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	108.1010	1.428	2	108.1010	2.040	2	108.1010	2.040	2	108.1010	2.040	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	C(N[5]B[5,6]C[5]C)(H)3	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3){2|B<4>,2|C<3>}	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	C(N[5]B[5,6]C[5]C)(H)3	111.0330	0.448	3	111.0330	0.201	3	111.0330	0.201	3	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	C(N[5]C[5,6]C[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	C(N[5]C[5,6]C[5]C)(H)3	109.2710	0.000	2	109.2710	0.000	2	109.2710	0.000	2	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3){4|C<3>}	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	110.8595	0.006	2	110.8595	0.000	2	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCHH)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCHH)(H)2	C(N[5]C[5]2C)(H)3	110.6731	1.690	38	110.6731	2.856	38	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCo2C)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCo2C)(H)2	C(N[5]C[5]2C)(H)3	106.8830	0.000	1	106.8830	0.000	1	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	110.5125	0.735	2	110.5125	0.540	2	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CHHO)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CHHO)(H)2	C(N[5]C[5]2C)(H)3	111.1320	0.000	1	111.1320	0.000	1	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:Si-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C(N[5]C[5]2C)(SiC3)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(SiC3)(H)2	C(N[5]C[5]2C)(H)3	110.7430	0.000	1	110.7430	0.000	1	110.9005	0.050	2	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:Si-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	C(N[5]C[5]2C)(H)3	111.0580	0.000	1	111.0580	0.000	1	110.9005	0.050	2	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	C(N[5]B[5]C[5]C)(CH3)(H)2	C(N[5]B[5]C[5]C)(CH3)(H)2	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C(N[5]B[5]C[5]C)(CH3)(H)2	C(N[5]B[5]C[5]C)(CH3)(H)2	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	111.2470	0.372	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)2	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(CH3)(H)2	N[5](C[5]C[5]HH)2(CCHH)2{4|H<1>}	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(CH3)(H)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.2470	0.372	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	109.8440	0.000	1	109.8440	0.000	1	108.9713	0.810	3	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2{1|N<2>,3|C<3>,3|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	108.5350	0.692	2	108.5350	0.478	2	108.9713	0.810	3	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2{3|C<3>}	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	107.9480	0.000	1	107.9480	0.000	1	107.5405	0.332	2	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2{1|C<3>}	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	107.1330	0.000	1	107.1330	0.000	1	107.5405	0.332	2	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4,5]-5:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[4,5]C[5]C)(H)3	C(N[5]Ga[4,5]C[5]C)(H)3	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2{1|Ga<5>,1|C<4>,2|H<1>}	C(N[5]Ga[4,5]C[5]C)(H)3	C(N[5]Ga[4,5]C[5]C)(H)3	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.6690	0.333	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	In[5,6]-5:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5]C[5]HH)(CH3)2	C(N[5]In[5,6]C[5]C)(H)3	C(N[5]In[5,6]C[5]C)(H)3	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(N[5]In[5,6]C[5]C)(H)3	C(N[5]In[5,6]C[5]C)(H)3	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.6690	0.333	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]In[5]C[5]C)(CHHN)(H)2	C(N[5]In[5]C[5]C)(H)3	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(N[5]In[5]C[5]C)(CHHN)(H)2	C(N[5]In[5]C[5]C)(H)3	110.1845	1.129	2	110.1845	1.275	2	110.1845	1.275	2	108.9790	2.363	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]Si[5]C[5]C)(CHHN)(H)2	C(N[5]Si[5]C[5]C)(H)3	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(N[5]Si[5]C[5]C)(CHHN)(H)2	C(N[5]Si[5]C[5]C)(H)3	107.7735	0.032	2	107.7735	0.001	2	107.7735	0.001	2	108.9790	2.363	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	In[5,5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2{1|C<3>,1|O<1>,3|C<4>}	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	110.3840	0.089	2	110.3840	0.008	2	110.3840	0.008	2	107.5517	10.943	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	In[5,6]-5:C[5,6]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(CCHH)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,3|C<4>,4|H<1>}	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	104.7195	0.858	2	104.7195	0.736	2	104.7195	0.736	2	107.5517	10.943	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	6:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-6:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[3,5,6,6]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3,5,6,6]N[5,6,6]C[3]2O[6]2Cl)(C[5]C[5]HH)(CH3)2	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	N[5](Nb[3,5,6,6]N[5,6,6]C[3]2O[6]2Cl)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	106.8630	0.169	3	106.8630	0.029	3	106.8630	0.029	3	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[3,5,6]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3,5,6]N[5,6]C[3]2O[6]Cl2)(C[5]C[5]HH)(CH3)2	C(N[5]Nb[3,5,6]C[5]C)(H)3	C(N[5]Nb[3,5,6]C[5]C)(H)3	N[5](Nb[3,5,6]N[5,6]C[3]2O[6]Cl2)(C[5]C[5]HH)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	C(N[5]Nb[3,5,6]C[5]C)(H)3	C(N[5]Nb[3,5,6]C[5]C)(H)3	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[3x3,5]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3x3,5]Nb[3x3,5]Cl[3]3N[5]Cl)(C[5]C[5]HH)(CH3)2	C(N[5]Nb[3x3,5]C[5]C)(H)3	C(N[5]Nb[3x3,5]C[5]C)(H)3	N[5](Nb[3x3,5]Nb[3x3,5]Cl[3]3N[5]Cl)(C[5]C[5]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>,2|N<4>}	C(N[5]Nb[3x3,5]C[5]C)(H)3	C(N[5]Nb[3x3,5]C[5]C)(H)3	106.6385	0.926	4	106.6385	0.858	4	106.6385	0.858	4	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[5,5]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Nb[5,5]C[5]C)(H)3	C(N[5]Nb[5,5]C[5]C)(H)3	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,3|C<4>}	C(N[5]Nb[5,5]C[5]C)(H)3	C(N[5]Nb[5,5]C[5]C)(H)3	107.4205	0.103	2	107.4205	0.011	2	107.4205	0.011	2	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	578	0:SP3_SP3_SPD6	N[5,5]	C	Ga[3x5]	6:4:4:4:	4:1:1:1:	4:4:4:1:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C(N[5,5]Ga[3x5]C[5]2)(H)3	Ga[3x5](N[5,5]C[5]2C)3(F)3	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C(N[5,5]Ga[3x5]C[5]2)(H)3	Ga[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	111.8107	0.859	3	111.8107	0.737	3	111.8107	0.737	3	111.8107	0.737	3	111.8107	0.737	3	112.4855	2.313	4
999	490	578	0:SP3_SP3_SPD6	N[5,5]	C	Ga[4x5]	6:4:4:4:	4:4:1:1:	4:4:2:2:2:2:	Ga[4x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH)	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>,3|C<4>}	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4{4|O<1>,8|H<1>}	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	112.4855	2.313	4
999	490	610	0:SP3_SP3_SP3	N[5,6]	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:B-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3)	C(N[5,6]C[5,6]2B)(H)3	B(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3){1|C<4>,8|H<1>}	C(N[5,6]C[5,6]2B)(H)3	B(N[5,6]C[5,6]2C)(H)3	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:B-4:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	B(N[5]C[5]2C)(H)3	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	109.6915	2.984	6	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	109.4660	0.000	1	109.4660	0.000	1	109.3120	1.499	3	109.3120	1.499	3	109.6915	2.984	6	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	109.2350	1.721	2	109.2350	2.962	2	109.3120	1.499	3	109.3120	1.499	3	109.6915	2.984	6	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BCHH)(CH3)	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(CC[6a]CH)(H)2	N[5](C[5]C[5]HH)2(BCHH)(CH3){4|H<1>}	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(CC[6a]CH)(H)2	109.2980	2.734	2	109.2980	7.473	2	109.2980	7.473	2	109.2980	7.473	2	109.6915	2.984	6	109.1647	4.429	7
999	490	643	0:SP3_SP2_SP3	N[5]	C	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1
999	490	679	0:SP3_SP3_SP3	N[5]	C	B[5,6a]	4:4:4:4:	4:1:1:1:	3:3:4:2:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.6135	1.883	2	112.6135	3.546	2	112.6135	3.546	2	112.6135	3.546	2	112.1171	4.380	8	112.1171	4.380	8
999	490	679	0:SP3_SP3_SP3	N[5]	C	B[5,6a]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)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>}	111.9517	2.300	6	111.9517	5.291	6	111.9517	5.291	6	111.9517	5.291	6	112.1171	4.380	8	112.1171	4.380	8
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	110.0140	0.601	2	110.0140	0.361	2	110.0140	0.361	2	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2{3|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	110.6090	3.553	2	110.6090	12.620	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	109.8230	3.606	2	109.8230	13.005	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	110.1495	1.959	2	110.1495	3.839	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	110.1200	2.192	2	110.1200	4.805	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	111.1170	2.024	4	111.1170	4.097	4	111.0289	4.009	12	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	110.9838	2.969	4	110.9838	8.815	4	111.0289	4.009	12	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	110.9860	1.331	4	110.9860	1.771	4	111.0289	4.009	12	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	111.0515	3.103	2	111.0515	9.632	2	111.0515	9.632	2	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C(N[5]C[5,6a]Ga[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]Ga[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	110.0165	1.860	2	110.0165	3.461	2	110.0165	3.461	2	110.0165	3.461	2	110.6121	3.915	26	110.6121	3.915	26
999	490	786	0:SP3_SP3_SP3	N[3x5,6]	C	B[3x5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[3x5,6]-4:O[5]-2:O[5]-2:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2{1|S<2>,2|C<3>,5|H<1>,6|C<4>}	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	113.8610	0.000	1	113.8610	0.000	1	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	113.1110	0.000	1	114.3440	1.188	3	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	114.9605	0.310	2	114.3440	1.188	3	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	115.5030	0.000	1	115.0312	0.400	5	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	115.3335	0.759	2	115.0312	0.400	5	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	114.4930	0.202	2	115.0312	0.400	5	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	115.7730	0.000	1	115.8257	1.577	3	115.8257	1.577	3	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	114.5970	0.000	1	115.8257	1.577	3	115.8257	1.577	3	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,9|H<1>}	117.1070	0.000	1	115.8257	1.577	3	115.8257	1.577	3	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	114.1904	0.453	5	114.1904	0.205	5	114.1904	0.205	5	114.4091	0.359	7	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	114.9560	0.707	2	114.9560	0.500	2	114.9560	0.500	2	114.4091	0.359	7	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	115.8220	0.000	1	115.8220	0.000	1	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	115.3193	0.943	3	115.3193	0.888	3	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	114.6125	0.436	2	114.6125	0.190	2	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	115.2930	1.125	3	115.2930	1.266	3	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	115.6990	0.000	1	115.6990	0.000	1	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	114.9340	0.000	1	114.9340	0.000	1	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	116.6640	0.000	1	116.6640	0.000	1	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	116.0063	0.312	3	116.0063	0.098	3	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	116.6600	0.000	1	116.6600	0.000	1	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	115.5780	0.000	1	115.5780	0.000	1	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	115.5110	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	114.9950	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	115.1180	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	114.9216	0.344	5	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	115.8170	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	114.7960	0.604	3	114.7960	0.364	3	114.7960	0.364	3	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	115.3440	0.494	2	115.3440	0.244	2	115.3440	0.244	2	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2{1|C<4>,2|O<1>,7|H<1>}	115.3563	0.700	4	115.3563	0.491	4	115.3563	0.491	4	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[6a]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	115.6110	0.987	3	115.6110	0.974	3	115.6110	0.974	3	115.6110	0.974	3	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	116.2390	0.000	1	116.2390	0.000	1	113.4165	15.933	2	113.4165	15.933	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	110.5940	0.000	1	110.5940	0.000	1	113.4165	15.933	2	113.4165	15.933	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	114.1360	1.258	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	114.1360	1.258	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:4:4:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:C-4:C-4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	C(N[5,5]B[5,5]C[5]2)(CH3)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CH3)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	121.7660	0.024	2	121.7660	0.001	2	121.7660	0.001	2	121.7660	0.001	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,6]	C	B[5,5,6]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	113.0880	2.445	2	113.0880	5.979	2	113.0880	5.979	2	113.0880	5.979	2	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	112.5025	3.782	2	112.5025	14.306	2	113.0997	5.869	6	113.0997	5.869	6	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|H<1>}	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	113.3982	2.158	4	113.3982	4.656	4	113.0997	5.869	6	113.0997	5.869	6	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](N[5]C[5]CC)(O[5]C[5])3	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	112.7155	3.386	2	112.7155	11.467	2	112.7155	11.467	2	112.7155	11.467	2	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6,6]	4:4:4:4:	4:1:1:1:	4:4:4:4:	B[5,6,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:N[5]-4:	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2	C(N[5]B[5,6,6]C[5]C)(H)3	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC)	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2{4|C<4>,6|H<1>}	C(N[5]B[5,6,6]C[5]C)(H)3	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC){12|H<1>,2|C<4>}	114.9735	7.548	2	114.9735	56.978	2	114.9735	56.978	2	114.9735	56.978	2	114.9735	56.978	2	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3){2|B<4>,2|C<3>}	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	108.3373	1.044	3	108.3373	1.091	3	110.6670	7.298	9	110.6670	7.298	9	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{1|B<3>,1|B<4>,2|C<3>}	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	111.5037	2.099	4	111.5037	4.405	4	110.6670	7.298	9	110.6670	7.298	9	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2{1|C<4>,2|C<3>,7|H<1>}	112.4880	4.156	2	112.4880	17.275	2	110.6670	7.298	9	110.6670	7.298	9	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:4:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3){2|B<4>,2|C<3>}	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	111.9210	0.634	3	111.9210	0.401	3	111.9210	0.401	3	111.9210	0.401	3	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	3:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:F-1:F-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	111.6680	0.211	2	111.6680	0.044	2	111.6680	0.044	2	111.6680	0.044	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	P[5]-4:N[5]-4:Br-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	111.2545	3.208	2	111.2545	10.292	2	111.2545	10.292	2	110.4788	5.011	4	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	P[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	109.7030	1.527	2	109.7030	2.333	2	109.7030	2.333	2	110.4788	5.011	4	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:3:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	113.0220	4.319	2	113.0220	18.654	2	113.0220	18.654	2	113.0220	18.654	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2{3|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	112.9465	2.583	2	112.9465	6.672	2	112.9465	6.672	2	112.9465	6.672	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:3:4:4:	4:4:1:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	112.1525	2.700	4	112.1525	7.288	4	112.1525	7.288	4	112.1525	7.288	4	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	112.6515	0.882	2	112.6515	0.778	2	112.6515	0.778	2	112.6515	0.778	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	112.5992	3.030	6	112.5992	9.181	6	112.8081	8.036	8	112.8081	8.036	8	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	113.4350	3.049	2	113.4350	9.297	2	112.8081	8.036	8	112.8081	8.036	8	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC){10|H<1>,2|C<3>,5|C<4>}	112.8035	2.838	2	112.8035	8.052	2	112.8035	8.052	2	112.8035	8.052	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(H)3	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(N[5]B[5]C[5]C)(H)3	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:4:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	B[5]-3:C[6a]-3:N[5]-4:I-1:	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	C(N[5]B[5]C[5]C)(CH3)(H)2	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I)	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C(N[5]B[5]C[5]C)(CH3)(H)2	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I){2|C<4>,4|C<3>,4|H<1>}	112.3135	9.264	2	112.3135	85.818	2	112.3135	85.818	2	112.3135	85.818	2	112.2127	9.183	31	113.8481	7.626	122
999	490	818	0:SP3_SP2_SP3	N[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	110.6970	0.322	2	110.6970	0.104	2	111.3437	1.307	3	111.3437	1.307	3	111.3437	1.307	3	110.4393	1.670	6
999	490	818	0:SP3_SP2_SP3	N[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	112.6370	0.000	1	112.6370	0.000	1	111.3437	1.307	3	111.3437	1.307	3	111.3437	1.307	3	110.4393	1.670	6
999	490	818	0:SP3_SP2_SP3	N[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	109.5350	0.415	3	110.4393	1.670	6
999	490	818	0:SP3_SP2_SP3	N[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9060	0.069	2	109.9060	0.005	2	109.9060	0.005	2	109.9060	0.005	2	109.5350	0.415	3	110.4393	1.670	6
999	490	874	0:SP3_SP3_SP3	N[5,6]	C	B[6]	4:4:4:4:	4:1:1:1:	4:3:1:1:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2{1|N<3>,1|N<4>,2|H<1>,2|O<2>,4|C<4>}	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1
999	490	885	0:SP3_SP-NON_SP3	N[5,5,6]	C	Ga[5,6]	4:4:4:4:	4:1:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:H-1:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:C-4:C-4:	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2{1|Ga<4>,1|C<4>,4|H<1>}	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5,5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	Ga[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:N[5]-4:	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5,5]C[5]C)(H)3	Ga[5,5](C[5,5a]C[5,5a]C[5a])2(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	Ga[5,5](C[5,5a]C[5,5a]C[5a])2(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC){1|C<4>,2|S<2>,4|C<3>,4|H<1>}	111.9440	2.586	4	111.9440	6.686	4	111.9440	6.686	4	112.0074	6.570	8	112.0074	6.570	8	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5,5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	Ga[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5,5]C[5]C)(H)3	Ga[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	Ga[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	112.0708	2.938	4	112.0708	8.634	4	112.0708	8.634	4	112.0074	6.570	8	112.0074	6.570	8	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	3:4:4:4:	4:1:1:1:	3:4:1:1:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C(N[5]C[5,6a]Ga[5]C)(H)3	Ga[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(Cl)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]Ga[5]C)(H)3	Ga[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(Cl)2{1|H<1>,3|C<3>}	111.8740	1.557	2	111.8740	2.424	2	111.8740	2.424	2	111.8740	2.424	2	112.1305	13.647	15	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:2:4:4:	4:1:1:1:	4:3:4:4:	Ga[5]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-3:C-4:C-4:	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2	C(N[5]Ga[5]O[5]C)(H)3	Ga[5](N[5]O[5]CC)(O[5]Ga[5]N)(CC3)2	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2{1|N<3>,2|C<4>}	C(N[5]Ga[5]O[5]C)(H)3	Ga[5](N[5]O[5]CC)(O[5]Ga[5]N)(CC3)2{2|C<4>}	113.9035	2.618	2	113.9035	6.856	2	113.9035	6.856	2	113.9035	6.856	2	112.1305	13.647	15	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:1:	4:4:4:4:	4:2:2:2:	Ga[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:C-4:	N[5]-4:O[5]-2:O-2:O-2:	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2{1|C<4>,1|H<1>,1|O<1>}	101.6020	0.000	1	101.6020	0.000	1	101.6020	0.000	1	101.6020	0.000	1	112.1305	13.647	15	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	114.0210	3.328	2	114.0210	11.073	2	114.0210	11.073	2	114.0210	11.073	2	112.1305	13.647	15	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:4:	4:1:1:1:	3:4:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	113.4655	4.291	2	113.4655	18.416	2	113.4655	18.416	2	113.4655	18.416	2	112.1305	13.647	15	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:4:	4:1:1:1:	4:3:4:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-3:C-4:Cl-1:	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](N[5]C[5]CC)(O[5]C[5]Ga)(CH3)(Cl)	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|H<1>}	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](N[5]C[5]CC)(O[5]C[5]Ga)(CH3)(Cl){4|H<1>}	113.1480	4.452	2	113.1480	19.820	2	113.1480	19.820	2	113.1480	19.820	2	112.1305	13.647	15	112.1745	10.491	24
999	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:N[5]-4:C-4:C-4:	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](N[5]C[5]CC)2(CH3)2	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]Ga[5]C[5]C)(H)3	Ga[5](N[5]C[5]CC)2(CH3)2{4|H<1>}	111.8828	0.851	4	111.8828	0.725	4	111.8828	0.725	4	111.8828	0.725	4	112.1305	13.647	15	112.1745	10.491	24
999	490	893	0:SP3_SP3_SP3	N[5]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C(N[5]C[5,5]C[5]O)(H)3	O(N[5]C[5,5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5]O)(H)3	O(N[5]C[5,5]C[5]C)(H)	109.7980	0.226	2	109.7980	0.051	2	109.7980	0.051	2	109.7980	0.051	2	109.7980	0.051	2	109.7980	0.051	2
999	490	928	0:SP3_SP3_SPD6	N[5,5]	C	Si[3x5]	6:4:4:4:	4:1:1:1:	4:4:4:1:1:1:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C(N[5,5]Si[3x5]C[5]2)(H)3	Si[3x5](N[5,5]C[5]2C)3(F)3	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C(N[5,5]Si[3x5]C[5]2)(H)3	Si[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	112.2913	0.008	3	112.2913	0.000	3	112.2913	0.000	3	112.2913	0.000	3	112.2913	0.000	3	112.6374	0.545	5
999	490	928	0:SP3_SP3_SPD6	N[5]	C	Si[5,5]	6:2:4:4:	4:1:1:1:	4:4:2:2:1:1:	Si[5,5]-6:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	113.1565	1.132	2	113.1565	1.282	2	113.1565	1.282	2	113.1565	1.282	2	113.1565	1.282	2	112.6374	0.545	5
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5,5]	5:2:4:4:	4:1:1:1:	3:4:4:2:2:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-4:N[5]-4:O[5]-2:O[5]-2:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	Si[5,5](C[6a]C[6a]2)(N[5]N[5]CC)2(O[5]C[5])2	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2{1|N<2>,3|C<3>,3|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	Si[5,5](C[6a]C[6a]2)(N[5]N[5]CC)2(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	114.5955	1.071	4	114.5955	1.146	4	114.5955	1.146	4	114.5955	1.146	4	114.2977	6.301	7	113.9915	9.303	15
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5,5]	5:2:4:4:	4:1:1:1:	4:4:3:2:2:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	112.0625	3.642	2	112.0625	13.266	2	112.0625	13.266	2	112.0625	13.266	2	114.2977	6.301	7	113.9915	9.303	15
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5,5]	5:4:4:1:	4:1:1:1:	3:4:3:2:2:	Si[5,5]-5:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C(N[5]Si[5,5]C[5]H)(H)3	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,5|C<3>}	C(N[5]Si[5,5]C[5]H)(H)3	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	114.2977	6.301	7	113.9915	9.303	15
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5]	5:2:4:4:	4:1:1:1:	3:4:2:2:1:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-4:O[5]-2:O-2:H-1:	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	Si[5](C[6a]C[6a]2)(N[5]N[5]CC)(O[5]C[5])(OC)(H)	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2{3|C<3>}	C(N[5]Si[5]N[5]C)(H)3	Si[5](C[6a]C[6a]2)(N[5]N[5]CC)(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	114.2265	0.641	2	114.2265	0.411	2	114.2265	0.411	2	114.2265	0.411	2	113.7235	13.030	8	113.9915	9.303	15
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5]	5:2:4:4:	4:1:1:1:	4:2:2:1:1:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-2:O-2:Br-1:Br-1:	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	Si[5](N[5]N[5]CC)(O[5]C[5])(OC)(Br)2	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2{1|C<3>}	C(N[5]Si[5]N[5]C)(H)3	Si[5](N[5]N[5]CC)(O[5]C[5])(OC)(Br)2{1|C<3>}	116.0845	3.129	2	116.0845	9.790	2	116.0845	9.790	2	116.0845	9.790	2	113.7235	13.030	8	113.9915	9.303	15
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5]	5:4:4:4:	4:1:1:1:	4:4:1:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:N[5]-4:Cl-1:Cl-1:Cl-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]Si[5]C[5]C)(H)3	Si[5](N[5]C[5]CC)2(Cl)3	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(N[5]Si[5]C[5]C)(H)3	Si[5](N[5]C[5]CC)2(Cl)3{4|H<1>}	115.9645	0.050	2	115.9645	0.003	2	115.9645	0.003	2	115.9645	0.003	2	113.7235	13.030	8	113.9915	9.303	15
999	490	931	0:SP3_SP3_SPD5	N[5]	C	Si[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:N[5]-4:Cl-1:Cl-1:Cl-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]Si[5]C[5]C)(CHHN)(H)2	Si[5](N[5]C[5]CC)2(Cl)3	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(N[5]Si[5]C[5]C)(CHHN)(H)2	Si[5](N[5]C[5]CC)2(Cl)3{4|H<1>}	108.6185	2.681	2	108.6185	7.186	2	108.6185	7.186	2	108.6185	7.186	2	113.7235	13.030	8	113.9915	9.303	15
999	490	939	0:SP3_SP2_SP3	N[5,5,6]	C	Ge[5,5,6]	4:3:2:4:	4:4:4:4:	3:4:3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	N[5,5,6]-4:C-4:C-4:C-4:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-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)	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)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[5,5,6](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>}	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)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){2|H<1>,5|C<3>}	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	111.4712	9.832	4
999	490	939	0:SP3_SP2_SP3	N[5,5]	C	Ge[3x5]	3:4:4:4:	4:1:1:1:	4:4:4:	Ge[3x5]-3:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]Ge[3x5]C[5]2)(H)3	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){4|C<4>,4|H<1>}	C(N[5,5]Ge[3x5]C[5]2)(H)3	Ge[3x5](N[5,5]C[5]2C)3{12|H<1>}	109.9637	1.054	3	109.9637	1.111	3	109.9637	1.111	3	109.9637	1.111	3	109.9637	1.111	3	111.4712	9.832	4
999	490	946	0:SP3_SP1_SP3	N[5,5,6]	C	Ge[5]	4:3:2:4:	4:4:4:4:	4:3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	N[5,5,6]-4:C-4:C-4:C-4:	N[5,5,6]-4:C[5,6a]-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)	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	Ge[5](N[5,5,6]Ge[5,5,6]C[5,5,6]C)(C[5,6a]C[5,6a]C[6a])	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>}	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	Ge[5](N[5,5,6]Ge[5,5,6]C[5,5,6]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1
999	490	951	0:SP3_SP-NON_SP3	N[5,5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H)	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	H(N[5,5]C[5,5,6]2C)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H){8|H<1>}	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	H(N[5,5]C[5,5,6]2C)	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.5985	0.022	2	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C-4:C-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H)	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	H(N[5,5]C[5,5,6]2C)	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H){8|H<1>}	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	H(N[5,5]C[5,5,6]2C)	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.5985	0.022	2	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H)	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	H(N[5,6]C[5,5,6]C[5,6]C)	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	H(N[5,6]C[5,5,6]C[5,6]C)	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.2670	7.196	15	108.2670	7.196	15	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	109.6780	0.000	1	108.2382	7.736	14	108.2382	7.736	14	108.2670	7.196	15	108.2670	7.196	15	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	109.8474	1.526	7	108.2382	7.736	14	108.2382	7.736	14	108.2670	7.196	15	108.2670	7.196	15	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,1|O<2>,7|H<1>}	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	106.8850	3.694	3	108.2382	7.736	14	108.2382	7.736	14	108.2670	7.196	15	108.2670	7.196	15	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	106.1700	2.176	2	108.2382	7.736	14	108.2382	7.736	14	108.2670	7.196	15	108.2670	7.196	15	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	C(N[5,6]C[5,6]2H)(H)3	H(N[5,6]C[5,6]2C)	103.7300	0.000	1	108.2382	7.736	14	108.2382	7.736	14	108.2670	7.196	15	108.2670	7.196	15	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(N[5]C[5,6]O[5]H)(H)3	H(N[5]C[5,6]O[5]C)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5]H)(H)3	H(N[5]C[5,6]O[5]C)	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	110.0983	4.419	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	C(N[5]C[5]O[5]H)(H)3	H(N[5]C[5]O[5]C)	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	C(N[5]C[5]O[5]H)(H)3	H(N[5]C[5]O[5]C)	108.5300	0.000	1	108.5300	0.000	1	110.5085	7.829	2	110.0983	4.419	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C(N[5]C[5]O[5]H)(H)3	H(N[5]C[5]O[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	C(N[5]C[5]O[5]H)(H)3	H(N[5]C[5]O[5]C)	112.4870	0.000	1	112.4870	0.000	1	110.5085	7.829	2	110.0983	4.419	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O[5]-2:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(N[5]C[5]O[5]C)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	H(N[5]C[5]O[5]C)	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[5a]HH)(H)	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[5a]HH)(H){4|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	107.1769	2.760	10	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	105.7420	0.000	1	105.7420	0.000	1	107.0121	2.800	9	107.1769	2.760	10	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	108.1818	1.004	5	108.1818	1.009	5	107.0121	2.800	9	107.1769	2.760	10	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6a]HH)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	105.4860	1.208	3	105.4860	1.460	3	107.0121	2.800	9	107.1769	2.760	10	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:B-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6a]BH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6a]BH)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	H(N[5]C[5]2C)	106.9820	1.605	2	106.9820	2.576	2	106.9820	2.576	2	106.9027	1.307	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	H(N[5]C[5]2C)	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	106.9027	1.307	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:C-4:B-4:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6a]BC)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6a]BC)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	H(N[5]C[5]2C)	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5,5]C[5]H)(H)3	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,5]C[5]H)(H)3	H(N[5]C[5,5]C[5]C)	108.2850	0.000	1	108.2850	0.000	1	106.9025	3.823	2	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C(N[5]C[5,5]C[5]H)(H)3	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C(N[5]C[5,5]C[5]H)(H)3	H(N[5]C[5,5]C[5]C)	105.5200	0.000	1	105.5200	0.000	1	106.9025	3.823	2	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	104.7210	0.000	1	104.7210	0.000	1	106.0387	3.383	4	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	106.3910	0.000	1	105.4675	1.706	2	106.0387	3.383	4	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	104.5440	0.000	1	105.4675	1.706	2	106.0387	3.383	4	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	H(N[5]C[5,6]C[5]C)	108.4990	0.000	1	108.4990	0.000	1	106.0387	3.383	4	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	107.1280	0.000	1	107.1159	9.545	8	107.5764	20.293	20	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	107.1141	3.337	7	107.1159	9.545	8	107.5764	20.293	20	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	108.0410	0.519	2	108.0410	0.269	2	107.5764	20.293	20	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CH3)(H)	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	107.8846	6.712	8	107.8846	45.045	8	107.5764	20.293	20	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C(N[5]C[5]2H)(H)3	H(N[5]C[5]2C)	107.7210	0.486	2	107.7210	0.237	2	107.5764	20.293	20	107.2880	16.309	26	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-2:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C(N[5]C[5]2H)(CC)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(CC)(H)2	H(N[5]C[5]2C)	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(N[5]C[3,5]C[5]C)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	H(N[5]C[3,5]C[5]C)	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.2206	0.894	5	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	H(N[5]C[5,6]C[5]C)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2206	0.894	5	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5]2H)(COO)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C(N[5]C[5]2H)(COO)(H)2	H(N[5]C[5]2C)	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	108.2206	0.894	5	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[5]HH)(H)	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[5]HH)(H){4|H<1>}	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	H(N[5]C[5]2C)	107.5135	0.653	2	107.5135	0.426	2	107.5135	0.426	2	108.2206	0.894	5	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:C[6a]-3:C-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	H(N[5]C[5,6]C[5]C)	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	111.8297	4.950	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-3:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCCH)(H)	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	H(N[5]C[5]2C)	113.1075	0.320	2	113.1075	0.103	2	113.1075	0.103	2	111.8297	4.950	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,7|H<1>}	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	H(N[5]C[5,5]C[5]C)	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H){3|H<1>,4|C<4>}	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(N[5]C[5,6]C[5]C)	107.8900	0.000	1	107.8900	0.000	1	107.4065	0.468	2	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(N[5]C[5,6]C[5]C)	106.9230	0.000	1	106.9230	0.000	1	107.4065	0.468	2	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	112.1020	0.000	1	112.1020	0.000	1	106.6946	31.419	5	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	108.0840	0.000	1	108.0840	0.000	1	106.6946	31.419	5	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	H(N[5]C[5]2C)	104.4290	6.289	3	104.4290	39.554	3	106.6946	31.419	5	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C(N[5]C[5]2H)(CCHO)(H)2	H(N[5]C[5]2C)	106.7130	0.000	1	106.7130	0.000	1	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5]2H)(CH3)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C(N[5]C[5]2H)(CH3)(H)2	H(N[5]C[5]2C)	107.8410	0.000	1	107.8410	0.000	1	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(CCHH)(H)	C(N[5]C[5]2H)(CCHH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	C(N[5]C[5]2H)(CCHH)(H)2	H(N[5]C[5]2C)	105.6570	0.000	1	105.6570	0.000	1	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C(N[5]C[5]2H)(CCHH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	H(N[5]C[5]2C)	107.5550	0.000	1	107.5550	0.000	1	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C(N[5]C[5]2H)(CClHH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(CClHH)(H)2	H(N[5]C[5]2C)	108.3560	0.000	1	108.3560	0.000	1	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C(N[5]C[5]2H)(CHHN)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(CHHN)(H)2	H(N[5]C[5]2C)	107.5330	0.222	2	107.5330	0.049	2	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C(N[5]C[5]2H)(CHHO)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(CHHO)(H)2	H(N[5]C[5]2C)	110.3730	1.815	6	110.3730	3.295	6	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C(N[5]C[5]2H)(CN[5]HH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(CN[5]HH)(H)2	H(N[5]C[5]2C)	107.5420	0.608	2	107.5420	0.370	2	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5]2H)(CCHH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	H(N[5]C[5]2C)	107.5740	0.112	2	107.5740	0.012	2	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(N[5]C[5]2C)	105.7527	2.622	3	105.7527	6.874	3	108.0458	4.645	20	107.8335	8.195	29	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCCH)(H)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	H(N[5]C[5]2C)	109.3180	0.000	1	109.3180	0.000	1	108.4335	1.565	2	108.4477	0.783	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCCH)(H)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	H(N[5]C[5]2C)	107.5490	0.000	1	107.5490	0.000	1	108.4335	1.565	2	108.4477	0.783	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:P-4:P-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CHPP)(H)	C(N[5]C[5]2H)(PO3)2(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CHPP)(H){4|H<1>}	C(N[5]C[5]2H)(PO3)2(H)	H(N[5]C[5]2C)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	108.4477	0.783	3	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:C-4:	N[5]-4:	N[5](C[5]C[5,5]CH)2(CC3)(H)	C(N[5]C[5]2H)(CH3)3	H(N[5]C[5]2C)	N[5](C[5]C[5,5]CH)2(CC3)(H){1|Fe<10>,2|C<4>}	C(N[5]C[5]2H)(CH3)3	H(N[5]C[5]2C)	104.4870	0.000	1	104.4870	0.000	1	104.4870	0.000	1	104.4495	0.003	2	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	4:4:4:1:	4:4:4:4:	4:	Ga[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:C-4:	N[5]-4:	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	H(N[5]Ga[5]C[5]C)	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	H(N[5]Ga[5]C[5]C)	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	104.4495	0.003	2	107.7463	9.390	88	107.8369	8.869	105
999	490	951	0:SP3_SP-NON_SP3	N[5]	C	H	5:4:4:1:	4:1:1:1:	4:	Si[5,5]-5:C[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5]-4:	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C(N[5]Si[5,5]C[5]H)(H)3	H(N[5]Si[5,5]C[5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,5|C<3>}	C(N[5]Si[5,5]C[5]H)(H)3	H(N[5]Si[5,5]C[5]C)	106.1910	0.000	1	106.1910	0.000	1	106.1910	0.000	1	106.1910	0.000	1	107.7463	9.390	88	107.8369	8.869	105
999	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-4:	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C(N[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5])(N[5]C[5]CC)	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	C(N[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5])(N[5]C[5]CC){1|H<1>,1|O<2>,4|C<3>}	108.4110	1.039	2	108.4110	1.080	2	108.4110	1.080	2	108.4110	1.080	2	106.4358	1.290	14	106.4358	1.290	14
999	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	5:2:4:4:	4:1:1:1:	3:4:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-4:	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC)	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2{3|C<3>}	C(N[5]Si[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC){1|H<1>,1|O<2>,3|C<3>}	106.2375	0.607	2	106.2375	0.369	2	105.8672	0.505	4	105.8672	0.505	4	106.4358	1.290	14	106.4358	1.290	14
999	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	5:2:4:4:	4:1:1:1:	3:4:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-4:	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC)	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2{1|C<3>}	C(N[5]Si[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC){2|Br<1>,1|O<2>,2|C<3>}	105.4970	0.774	2	105.4970	0.598	2	105.8672	0.505	4	105.8672	0.505	4	106.4358	1.290	14	106.4358	1.290	14
999	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	5:2:4:4:	4:1:1:1:	4:3:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	106.0060	0.228	2	106.0060	0.052	2	106.1762	0.925	6	106.1762	0.925	6	106.4358	1.290	14	106.4358	1.290	14
999	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	5:2:4:4:	4:1:1:1:	4:3:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2{1|N<2>,3|C<3>,3|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C){1|C<3>,1|N<4>,1|O<2>}	106.2613	1.223	4	106.2613	1.496	4	106.1762	0.925	6	106.1762	0.925	6	106.4358	1.290	14	106.4358	1.290	14
999	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	6:2:4:4:	4:1:1:1:	4:3:	Si[5,5]-6:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	N[5](N[5]Si[5,5]CC)(C[5]C[6a]O[5])	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	N[5](N[5]Si[5,5]CC)(C[5]C[6a]O[5]){1|N<4>,1|O<2>,2|C<3>,2|F<1>}	106.3765	0.194	2	106.3765	0.038	2	106.3765	0.038	2	106.3765	0.038	2	106.4358	1.290	14	106.4358	1.290	14
999	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](N[5]C[5]CH)(C[5]N[5]N)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](N[5]C[5]CH)(C[5]N[5]N){2|C<3>}	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1
999	490	976	0:SP3_SP3_SP3	N[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	105.9030	0.000	1	105.9030	0.000	1	105.9030	0.000	1	105.9030	0.000	1	105.9030	0.000	1	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5,6]	C	O[5]	5:4:2:4:	4:1:1:1:	4:4:	In[5,5,6,6]-5:C[6]-4:O[5]-2:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:Ga[5]-4:	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3)	C(N[5,6]In[5,5,6,6]C[6]O[5])(H)3	O[5](N[5,6]In[5,5,6,6]C[6]C)(Ga[5]O[5,6]CC)	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3){1|Ga<4>,1|O<2>,2|H<1>,2|N<3>,4|C<4>}	C(N[5,6]In[5,5,6,6]C[6]O[5])(H)3	O[5](N[5,6]In[5,5,6,6]C[6]C)(Ga[5]O[5,6]CC){1|N<3>,1|N<4>,1|O<3>,2|C<4>,2|H<1>}	105.1115	1.964	2	105.1115	3.856	2	105.1115	3.856	2	105.1115	3.856	2	105.1115	3.856	2	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(N[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH){2|C<4>,2|H<1>}	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	106.2490	1.496	3	106.8354	2.475	9	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	C(N[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]HH)(N[5]C[5]CH)	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	C(N[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]HH)(N[5]C[5]CH){2|C<4>,2|H<1>}	107.1780	0.000	1	107.1780	0.000	1	106.0205	2.680	2	106.2490	1.496	3	106.8354	2.475	9	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C(N[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]HS)(N[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	C(N[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]HS)(N[5]C[5]CH){1|C<3>,1|S<4>,2|H<1>}	104.8630	0.000	1	104.8630	0.000	1	106.0205	2.680	2	106.2490	1.496	3	106.8354	2.475	9	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(N[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC){2|C<4>,2|H<1>}	107.5465	2.797	2	107.5465	7.821	2	107.5465	7.821	2	106.6617	4.215	4	106.8354	2.475	9	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	Ga[5]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	Ga[5]-4:N[5]-4:	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2	C(N[5]Ga[5]O[5]C)(H)3	O[5](Ga[5]O[5]CC)(N[5]Ga[5]CC)	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2{1|N<3>,2|C<4>}	C(N[5]Ga[5]O[5]C)(H)3	O[5](Ga[5]O[5]CC)(N[5]Ga[5]CC){1|N<3>,2|C<4>}	105.7770	1.301	2	105.7770	1.693	2	105.7770	1.693	2	106.6617	4.215	4	106.8354	2.475	9	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	B[5]-4:N[5]-4:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC){2|H<1>,4|C<3>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	106.8354	2.475	9	106.4704	2.625	12
999	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:C-4:C-4:H-1:	B[5]-4:N[5]-4:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C(N[5]C[5]O[5]C)(CH3)2(H)	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C(N[5]C[5]O[5]C)(CH3)2(H)	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC){2|H<1>,4|C<3>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	106.8354	2.475	9	106.4704	2.625	12
999	542	786	0:SP3_SP2_SP3	N[5,5]	N[5]	B[5,5]	4:4:3:1:	4:3:4:	3:4:2:2:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1
999	542	786	0:SP3_SP3_SP3	N[5,5]	N[5]	B[5,5]	4:4:3:1:	4:3:4:	3:4:2:2:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1
999	542	885	0:SP3_SP-NON_SP3	N[5,5,6]	N[5]	Ga[5,5,6]	4:4:3:1:	4:4:4:	3:4:3:4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:Ga[5]-4:C-4:	O[5,6,6]-3:N[5,5,6]-4:N[5,5]-3:C-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<4>,3|O<3>,4|C<4>}	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	111.9350	1.952	2	111.9350	1.952	2
999	542	885	0:SP3_SP-NON_SP3	N[5,5,6]	N[5]	Ga[5,5,6]	4:4:3:1:	4:4:4:	4:3:3:4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:O[5,6]-3:N[5,5]-3:C-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3)	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,3|O<3>,4|C<4>}	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	111.9350	1.952	2	111.9350	1.952	2
999	542	885	5:SP3_SP-NON_SP3	N[5,5,6,6]	N[5,5]	Ga[5,3x6]	4:4:3:1:	4:4:4:	4:3:3:4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6,6]-3:C-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3)	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3){1|N<3>,2|O<3>,3|N<4>,6|C<4>}	98.1597	0.000	1	98.1597	0.000	1	98.1597	0.000	1	98.1597	0.000	1	98.1597	0.000	1	106.0886	57.533	6
999	542	885	5:SP3_SP-NON_SP3	N[5,5,6,6]	N[5,5]	Ga[5,5,6,6]	4:4:3:1:	4:4:4:	4:3:4:4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	100.0770	0.000	1	100.0770	0.000	1	100.0770	0.000	1	100.0770	0.000	1	101.8695	6.426	2	106.0886	57.533	6
999	542	885	5:SP3_SP-NON_SP3	N[5,5,6,6]	N[5,5]	Ga[5,5,6,6]	4:4:3:1:	4:4:4:	4:4:3:4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	103.6620	0.000	1	103.6620	0.000	1	103.6620	0.000	1	103.6620	0.000	1	101.8695	6.426	2	106.0886	57.533	6
999	542	885	5:SP3_SP-NON_SP3	N[5,5,6,6]	N[5,5]	Ga[5,6,6]	4:4:3:1:	4:4:4:	4:3:3:4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6]-3:C-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3)	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3){2|N<3>,2|O<3>,3|N<4>,6|C<4>}	103.6800	0.000	1	103.6800	0.000	1	103.6800	0.000	1	103.6800	0.000	1	103.6800	0.000	1	106.0886	57.533	6
999	542	885	5:SP3_SP-NON_SP3	N[5,5,6]	N[5]	Ga[5,5,6,6]	4:4:3:1:	4:4:4:	4:3:4:4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	115.4765	0.702	2	106.0886	57.533	6
999	542	885	5:SP3_SP-NON_SP3	N[5,5,6]	N[5]	Ga[5,5,6,6]	4:4:3:1:	4:4:4:	4:4:3:4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:Ga[5]-4:C-4:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	115.4765	0.702	2	106.0886	57.533	6
999	542	951	0:SP3_SP-NON_SP2	N[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-3:C-4:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	H(N[5,5]B[5,5]C[5,5]N[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	H(N[5,5]B[5,5]C[5,5]N[5])	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1
999	542	951	0:SP3_SP-NON_SP3	N[5,5,6,6]	N[5,5]	H	4:4:3:1:	4:4:4:	4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6,6]-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3)	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]N[5,5])	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]N[5,5])	102.8260	0.000	1	102.8260	0.000	1	102.8260	0.000	1	106.1190	21.688	2	106.1190	21.688	2	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,5,6,6]	N[5,5]	H	4:4:3:1:	4:4:4:	4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6,6]-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3)	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]N[5,5])	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]N[5,5])	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	106.1190	21.688	2	106.1190	21.688	2	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,5,6]	N[5,5,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	N[5,5,6]-4:C[5,5,6]-4:C[5]-4:	N[5,5,6]-4:	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC)	H(N[5,5,6]C[5,5,6]N[5,5,6]C[5,6])	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC){1|C<3>,2|C<4>,7|H<1>}	H(N[5,5,6]C[5,5,6]N[5,5,6]C[5,6])	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3)	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	102.2600	0.000	1	102.2600	0.000	1	102.2600	0.000	1	104.5440	10.433	2	104.5440	10.433	2	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,5,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:Ga[5]-4:C-4:	N[5,5,6]-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	104.5440	10.433	2	104.5440	10.433	2	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,5]	N[5,5]	H	4:3:4:1:	4:4:3:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-4:C[5]-3:	N[5,5]-4:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O)	H(N[5,5]N[5,5]C[5]2)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	H(N[5,5]N[5,5]C[5]2)	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,5]	N[5]	H	4:4:3:1:	4:3:4:	4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-3:C-4:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	H(N[5,5]B[5,5]C[5,5]N[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	H(N[5,5]B[5,5]C[5,5]N[5])	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	107.4124	13.607	8
999	542	951	0:SP3_SP-NON_SP3	N[5,6,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	N[5,6,6]-4:	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	H(N[5,6,6]N[5,6,6]C[3x6]C[5])	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	H(N[5,6,6]N[5,6,6]C[3x6]C[5])	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	107.4124	13.607	8
999	578	951	0:SP3_SP-NON_SPD6	N[5,5]	Ga[3x5,6,6]	H	6:4:4:1:	3:3:4:4:2:2:	4:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5]-4:	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2	H(N[5,5]Ga[3x5,6,6]C[5]2)	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2{12|H<1>,2|C<3>,4|C<4>}	H(N[5,5]Ga[3x5,6,6]C[5]2)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	109.5522	10.340	15
999	578	951	0:SP3_SP-NON_SPD6	N[5,5]	Ga[3x5]	H	6:4:4:1:	3:3:4:4:1:1:	4:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:Cl-1:Cl-1:	N[5,5]-4:	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	Ga[3x5](N[5,6]C[5,6]C[6])2(N[5,5]C[5]2H)2(Cl)2	H(N[5,5]Ga[3x5]C[5]2)	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	Ga[3x5](N[5,6]C[5,6]C[6])2(N[5,5]C[5]2H)2(Cl)2{10|H<1>,4|C<3>}	H(N[5,5]Ga[3x5]C[5]2)	109.6735	0.172	2	109.6735	0.030	2	109.6735	0.030	2	109.6735	0.030	2	109.6735	0.030	2	109.5522	10.340	15
999	578	951	0:SP3_SP-NON_SPD6	N[5,5]	Ga[4x5,6,6]	H	6:4:4:1:	4:4:4:4:2:2:	4:	Ga[4x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5,6]-4:N[5,5,6]-4:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5]-4:	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H)	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2	H(N[5,5]Ga[4x5,6,6]C[5]2)	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2{20|H<1>,4|C<3>}	H(N[5,5]Ga[4x5,6,6]C[5]2)	113.0690	8.574	2	113.0690	73.520	2	113.0690	73.520	2	113.0690	73.520	2	113.0690	73.520	2	109.5522	10.340	15
999	578	951	0:SP3_SP-NON_SPD6	N[5,5]	Ga[4x5]	H	6:4:4:1:	4:4:4:4:1:1:	4:	Ga[4x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:N[5,5]-4:Cl-1:Cl-1:	N[5,5]-4:	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H)	Ga[4x5](N[5,5]C[5]2H)4(Cl)2	H(N[5,5]Ga[4x5]C[5]2)	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H){4|C<4>,7|H<1>}	Ga[4x5](N[5,5]C[5]2H)4(Cl)2{16|H<1>}	H(N[5,5]Ga[4x5]C[5]2)	108.1868	0.815	4	108.1868	0.664	4	108.1868	0.664	4	108.1868	0.664	4	108.1868	0.664	4	109.5522	10.340	15
999	578	951	0:SP3_SP-NON_SPD6	N[5,5]	Ga[5x5]	H	6:4:4:1:	3:3:4:3:2:2:	4:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5,6]-3:N[5,5,6]-3:N[5,5]-4:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2	H(N[5,5]Ga[5x5]C[5]2)	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2{2|O<1>,4|C<3>,8|H<1>}	H(N[5,5]Ga[5x5]C[5]2)	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	109.5522	10.340	15
999	578	951	0:SP3_SP-NON_SPD6	N[5,6,6]	Ga[3x5,3x6]	H	6:4:4:1:	4:4:4:2:2:2:	4:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	N[5,6,6]-4:N[5,6,6]-4:N[5,6,6]-4:O[5]-2:O[5]-2:O[5]-2:	N[5,6,6]-4:	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3	H(N[5,6,6]Ga[3x5,3x6]C[3x6]C[5])	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3{3|C<4>,3|O<1>,9|H<1>}	H(N[5,6,6]Ga[3x5,3x6]C[3x6]C[5])	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	109.5522	10.340	15
999	578	951	0:SP3_SP-NON_SPD6	N[5,6]	Ga[3x5,6,6]	H	6:4:4:1:	3:4:4:4:2:2:	4:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	N[5,6]-3:N[5,6]-4:N[5,6]-4:N[3x5]-4:O[6]-2:O[6]-2:	N[5,6]-4:	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2	H(N[5,6]Ga[3x5,6,6]C[5]C[6])	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2{15|H<1>,6|C<3>}	H(N[5,6]Ga[3x5,6,6]C[5]C[6])	108.7610	0.692	4	108.7610	0.479	4	108.7610	0.479	4	108.7610	0.479	4	108.7610	0.479	4	109.5522	10.340	15
999	610	610	0:SP3_SP3_SP3	N[5]	B	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:B-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(BH3)2	B(N[5]C[5]2B)(H)3	B(N[5]C[5]2B)(H)3	N[5](C[5]C[5]HH)2(BH3)2{4|H<1>}	B(N[5]C[5]2B)(H)3	B(N[5]C[5]2B)(H)3	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1
999	610	727	0:SP3_SP2_SP3	N[5]	B	C[5,6a]	3:4:4:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:B-4:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1
999	610	786	0:SP3_SP3_SP3	N[5,5]	B	B[5,5,6]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	B(N[5,5]B[5,5,6]C[5]2)(H)3	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	B(N[5,5]B[5,5,6]C[5]2)(H)3	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.1715	1.118	2
999	610	786	0:SP3_SP3_SP3	N[5,5]	B	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	B(N[5,5]B[5,5]C[5,5]C[5])(H)3	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	B(N[5,5]B[5,5]C[5,5]C[5])(H)3	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	117.1715	1.118	2
999	610	818	0:SP3_SP2_SP3	N[5,5,6]	B	C[5,5]	3:4:4:4:	4:1:1:1:	4:4:1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:B-4:	N[5,5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:N[5,5,6]-4:O-1:	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3)	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	C[5,5](C[5,5,6]C[5,6]2H)(N[5,5,6]C[5,6]2B)(O)	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3){5|H<1>}	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	C[5,5](C[5,5,6]C[5,6]2H)(N[5,5,6]C[5,6]2B)(O){8|H<1>}	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1
999	610	880	0:SP3_SP3_SP3	N[5]	B	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:B-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	N[5](C[5]C[5]HH)2(SiC3)(BH3)	B(N[5]C[5]2Si)(H)3	Si(N[5]C[5]2B)(CH3)3	N[5](C[5]C[5]HH)2(SiC3)(BH3){4|H<1>}	B(N[5]C[5]2Si)(H)3	Si(N[5]C[5]2B)(CH3)3	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1
999	610	951	0:SP3_SP-NON_SP3	N[5]	B	H	3:4:4:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:B-4:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	H(N[5]C[5,6a]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	H(N[5]C[5,6a]C[5]B)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	106.6870	0.357	3	106.6870	0.357	3
999	610	951	0:SP3_SP-NON_SP3	N[5]	B	H	4:4:4:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(N[5]C[5]2H)	H(N[5]C[5]2B)	N[5](C[5]C[5]HH)2(BC[6a]3)(H){4|H<1>}	B(C[6a]C[6a]2)3(N[5]C[5]2H)	H(N[5]C[5]2B)	106.3420	0.000	2	106.3420	0.000	2	106.3420	0.000	2	106.3420	0.000	2	106.6870	0.357	3	106.6870	0.357	3
999	643	786	0:SP3_SP2_SP3	N[5]	C[6a]	B[5]	4:3:4:4:	4:3:3:	4:3:3:4:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1
999	643	818	0:SP3_SP2_SP2	N[5]	C[6a]	C[5]	4:3:3:1:	4:3:3:	3:4:1:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	N[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-4:O-1:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O){1|H<1>,1|N<3>,5|C<3>}	125.3020	0.000	1	125.3020	0.000	1	125.3020	0.000	1	125.3020	0.000	1	125.3020	0.000	1	125.3020	0.000	1
999	643	951	0:SP3_SP-NON_SP2	N[5]	C[6a]	H	4:3:3:1:	4:3:3:	4:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	N[5]-4:C[6a]-3:C[6a]-3:	N[5]-4:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2	H(N[5]Se[5,5]C[6a]C[5])	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(N[5]Se[5,5]C[6a]C[5])	94.0519	0.000	1	94.0519	0.000	1	94.0519	0.000	1	94.0519	0.000	1	94.0519	0.000	1	94.0519	0.000	1
999	679	818	5:SP3_SP2_SP3	N[5,6]	B[5,5a]	C[5,5]	4:3:4:4:	4:3:2:2:	4:3:3:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	N[5,6]-4:C[5,5]-3:C[5]-3:	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6])	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<4>,2|C<3>,2|N<3>,4|H<1>}	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6]){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	103.0350	0.000	1	103.0350	0.000	1	103.0350	0.000	1	103.0350	0.000	1	103.0350	0.000	1	103.0350	0.000	1
999	679	951	0:SP3_SP-NON_SP3	N[5]	B[5,6a]	H	4:4:1:1:	3:3:4:2:	4:	B[5,6a]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5]-4:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	H(N[5]B[5,6a]C[5]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(N[5]B[5,6a]C[5]H)	110.8405	5.137	2	110.8405	26.390	2	110.4463	5.374	6	110.4463	5.374	6	110.4463	5.374	6	110.4463	5.374	6
999	679	951	0:SP3_SP-NON_SP3	N[5]	B[5,6a]	H	4:4:1:1:	3:3:4:2:	4:	B[5,6a]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5]-4:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	H(N[5]B[5,6a]C[5]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	H(N[5]B[5,6a]C[5]H)	110.2493	0.070	4	110.2493	0.005	4	110.4463	5.374	6	110.4463	5.374	6	110.4463	5.374	6	110.4463	5.374	6
999	727	727	5:SP3_SP2_SP2	N[3x5]	C[5,6a]	C[5,6a]	3:3:3:5:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:In[3x5]-5:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	N[3x5](C[5,6a]C[5,6a]C[6a])3(In[3x5]N[5]3Ni)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[3x5](C[5,6a]C[5,6a]C[6a])3(In[3x5]N[5]3Ni){3|C<4>,3|H<1>,6|C<3>}	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	114.9717	0.032	3	114.9717	0.001	3	114.9717	0.001	3	114.9717	0.001	3	114.9717	0.001	3	114.9717	0.001	3
999	727	786	5:SP3_SP2_SP3	N[5]	C[5,6a]	B[5]	3:4:4:4:	3:3:4:	3:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:N[5]-4:F-1:F-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	105.1942	8.997	5	105.1942	8.997	5
999	727	786	5:SP3_SP2_SP3	N[5]	C[5,6a]	B[5]	3:4:4:4:	3:3:4:	4:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-4:	P[5]-4:N[5]-4:Br-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	106.3020	0.000	1	106.3020	0.000	1	106.3020	0.000	1	108.0770	6.301	2	105.1942	8.997	5	105.1942	8.997	5
999	727	786	5:SP3_SP2_SP3	N[5]	C[5,6a]	B[5]	3:4:4:4:	3:3:4:	4:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-4:	P[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	108.0770	6.301	2	105.1942	8.997	5	105.1942	8.997	5
999	727	786	5:SP3_SP2_SP3	N[5]	C[5,6a]	B[5]	3:4:4:4:	3:3:4:	4:4:3:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	103.0550	0.000	1	103.0550	0.000	1	103.0550	0.000	1	103.0550	0.000	1	105.1942	8.997	5	105.1942	8.997	5
999	727	786	5:SP3_SP2_SP3	N[5]	C[5,6a]	B[5]	3:4:4:4:	3:3:4:	4:4:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5]-4:N[5]-4:C[6a]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	102.4030	0.000	1	102.4030	0.000	1	102.4030	0.000	1	102.4030	0.000	1	105.1942	8.997	5	105.1942	8.997	5
999	727	885	5:SP3_SP-NON_SP2	N[5]	C[5,6a]	Ga[5]	3:4:4:4:	3:4:3:	3:4:1:1:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	Ga[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(Cl)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	Ga[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(Cl)2{1|H<1>,3|C<3>}	104.4490	0.000	1	104.4490	0.000	1	104.4490	0.000	1	104.4490	0.000	1	104.4490	0.000	1	104.4490	0.000	1
999	727	951	0:SP3_SP-NON_SP2	N[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,5]-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(N[5,5]C[5,6a]C[5,5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	H(N[5,5]C[5,6a]C[5,5]C[5])	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	110.4410	5.474	7
999	727	951	0:SP3_SP-NON_SP2	N[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	N[5,6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(N[5,6]C[5,6a]C[5,6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	H(N[5,6]C[5,6a]C[5,6]C[6])	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	110.4410	5.474	7
999	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH)	H(N[5]C[5,6a]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5]H)	111.3720	2.915	2	111.3720	8.495	2	111.1725	2.885	4	111.1725	2.885	4	110.4090	5.079	5	110.4410	5.474	7
999	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH)	H(N[5]C[5,6a]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5]H)	110.9730	0.035	2	110.9730	0.001	2	111.1725	2.885	4	111.1725	2.885	4	110.4090	5.079	5	110.4410	5.474	7
999	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:B-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	H(N[5]C[5,6a]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	H(N[5]C[5,6a]C[5]B)	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	110.4090	5.079	5	110.4410	5.474	7
999	786	786	5:SP3_SP3_SP3	N[5,5,6]	B[5,5,6]	B[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	106.1645	0.163	2	106.1645	0.027	2	106.1645	0.027	2	106.1645	0.027	2	106.1645	0.027	2	106.1645	0.027	2
999	786	874	6:SP3_SP3_SP3	N[5,6]	B[5,5,6]	B[6]	4:4:4:4:	4:4:2:2:	4:3:1:1:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2{1|N<3>,1|N<4>,2|H<1>,2|O<2>,4|C<4>}	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1
999	786	951	0:SP3_SP-NON_SP3	N[3x5]	B[5,5]	H	4:4:4:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(N[3x5]B[5,5]C[5,5]2)	110.9100	0.000	1	110.9100	0.000	1	110.1625	5.353	4	110.1625	5.353	4	110.1625	5.353	4	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[3x5]	B[5,5]	H	4:4:4:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(N[3x5]B[5,5]C[5,5]2)	112.8300	0.000	1	112.8300	0.000	1	110.1625	5.353	4	110.1625	5.353	4	110.1625	5.353	4	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[3x5]	B[5,5]	H	4:4:4:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(N[3x5]B[5,5]C[5,5]2)	108.4550	1.598	2	108.4550	2.554	2	110.1625	5.353	4	110.1625	5.353	4	110.1625	5.353	4	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5,6]	B[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	N[5,5,6]-4:	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	H(N[5,5,6]B[5,5,6]2C[5,6])	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	H(N[5,5,6]B[5,5,6]2C[5,6])	110.6557	0.635	4	110.6557	0.403	4	110.6557	0.403	4	110.6557	0.403	4	110.6557	0.403	4	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:3:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	H(N[5,5]B[5,5]C[5,5]N[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	H(N[5,5]B[5,5]C[5,5]N[5])	108.3270	0.868	2	108.3270	0.754	2	108.3270	0.754	2	108.3270	0.754	2	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	H(N[5,5]B[5,5]C[5,5]C[5])	111.7840	0.000	1	109.9317	6.269	4	109.9317	6.269	4	109.9317	6.269	4	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	H(N[5,5]B[5,5]C[5,5]C[5])	107.8460	1.138	2	109.9317	6.269	4	109.9317	6.269	4	109.9317	6.269	4	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	3:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	H(N[5,5]B[5,5]C[5,5]C[5])	112.2510	0.000	1	109.9317	6.269	4	109.9317	6.269	4	109.9317	6.269	4	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	4:2:2:3:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5]-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	H(N[5,5]B[5,5]C[5]2)	110.8645	0.105	2	110.8645	0.011	2	110.8645	0.011	2	110.8645	0.011	2	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	4:2:2:4:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5]-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	H(N[5,5]B[5,5]C[5]2)	110.7700	0.057	2	110.7700	0.003	2	110.7700	0.003	2	110.7700	0.003	2	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	4:3:2:2:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:B[5]-3:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H){2|C<4>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2{4|C<4>,6|H<1>}	H(N[5,5]B[5,5]C[5]2)	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	110.9557	0.053	3	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	4:3:2:2:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H){2|C<3>,4|H<1>}	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	H(N[5,5]B[5,5]C[5]2)	110.9005	0.296	2	110.9005	0.088	2	110.9005	0.088	2	110.9557	0.053	3	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5,5]	H	4:4:4:1:	4:4:2:2:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	H(N[5,5]B[5,5]C[5,5]C[5])	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	110.1401	2.366	14	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5,5]	B[5]	H	4:4:4:1:	3:4:2:2:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	N[5,5]-4:	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	H(N[5,5]C[5,5]B[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(N[5,5]C[5,5]B[5]C[5])	114.3560	0.000	2	114.3560	0.000	2	114.3560	0.000	2	114.3560	0.000	2	114.3560	0.000	2	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5]	B[5,6]	H	4:4:1:1:	4:4:4:2:	4:	B[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-4:O[5]-2:	N[5]-4:	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5])	H(N[5]B[5,6]C[5]H)	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(N[5]B[5,6]C[5]H)	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	N[5]-4:	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	H(N[5]B[5]C[5]H)	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	H(N[5]B[5]C[5]H)	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	114.8623	17.046	3	111.8447	16.739	9	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	N[5]-4:	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	H(N[5]B[5]C[5]H)	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2{1|S<2>,2|H<1>,3|C<3>}	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	H(N[5]B[5]C[5]H)	116.9595	2.775	2	116.9595	7.703	2	116.9595	7.703	2	114.8623	17.046	3	111.8447	16.739	9	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5]	B[5]	H	4:4:1:1:	3:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	H(N[5]B[5]C[5]H)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(N[5]B[5]C[5]H)	111.9190	2.990	2	111.9190	8.938	2	111.9190	8.938	2	111.9190	8.938	2	111.8447	16.739	9	110.9045	6.813	34
999	786	951	0:SP3_SP-NON_SP3	N[5]	B[5]	H	4:4:1:1:	4:4:2:2:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:O-2:O-2:	N[5]-4:	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	H(N[5]B[5]C[5]H)	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	H(N[5]B[5]C[5]H)	109.5443	3.759	4	109.5443	14.128	4	109.5443	14.128	4	109.5443	14.128	4	111.8447	16.739	9	110.9045	6.813	34
999	818	818	5:SP3_SP2_SP2	N[5,6]	C[5,6]	C[5]	3:4:3:4:	3:4:3:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:N[5,6]-4:C[5]-3:	N[5,6]-4:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	103.8380	0.000	1	103.8380	0.000	1	103.8380	0.000	1	103.8380	0.000	1	103.6433	0.036	3	103.6433	0.036	3
999	818	818	5:SP3_SP2_SP2	N[5,6]	C[5,6]	C[5]	3:4:3:4:	3:4:3:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:N[5,6]-4:C[5]-3:	N[5,6]-4:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	103.5460	0.124	2	103.5460	0.015	2	103.5460	0.015	2	103.5460	0.015	2	103.6433	0.036	3	103.6433	0.036	3
999	818	930	0:SP3_SP2_SP2	N[5]	C[5]	C	4:3:3:1:	4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C[5]-3:H-1:	N[5]-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)	C(N[5]C[5]2H)(CHHN)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H){3|H<1>}	C(N[5]C[5]2H)(CHHN)(H)	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1
999	818	951	0:SP3_SP-NON_SP2	N[5]	C[5]	H	3:2:1:1:	4:3:4:	4:	C[5]-3:O[5]-2:H-1:H-1:	N[5]-4:C[5]-3:C-4:	N[5]-4:	N[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3)	H(N[5]C[5]O[5]H)	N[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3){1|C<3>}	H(N[5]C[5]O[5]H)	110.4960	0.030	2	110.4960	0.001	2	110.4960	0.001	2	110.4960	0.001	2	106.2653	38.679	6	106.2653	38.679	6
999	818	951	0:SP3_SP-NON_SP2	N[5]	C[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-4:N[5]-3:C-4:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS){4|H<1>}	H(N[5]C[5]2H)	108.0965	0.059	2	108.0965	0.003	2	108.0965	0.003	2	108.0965	0.003	2	106.2653	38.679	6	106.2653	38.679	6
999	818	951	0:SP3_SP-NON_SP2	N[5]	C[5]	H	4:3:3:1:	3:4:1:	4:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O-1:	N[5]-4:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O)	H(N[5]Se[5,5]C[6a]C[5])	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O){1|H<1>,1|N<3>,5|C<3>}	H(N[5]Se[5,5]C[6a]C[5])	93.9827	0.000	1	93.9827	0.000	1	93.9827	0.000	1	93.9827	0.000	1	106.2653	38.679	6	106.2653	38.679	6
999	818	951	0:SP3_SP-NON_SP2	N[5]	C[5]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C[5]-3:H-1:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H){3|H<1>}	H(N[5]C[5]2C)	106.4240	0.000	1	106.4240	0.000	1	106.4240	0.000	1	106.4240	0.000	1	106.2653	38.679	6	106.2653	38.679	6
999	818	976	5:SP3_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	N[5]-4:C[5]-3:C-4:	N[5]-4:C[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3)	O[5](N[5]C[5]HH)(C[5]C[5]2)	N[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3){1|C<3>}	O[5](N[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>}	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1
999	863	930	0:SP3_SP2_SP2	N[5]	O	C	4:4:3:1:	4:	4:3:1:	C[5]-4:C[5]-4:C-3:O-1:	N[5]-4:	N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	O(N[5]C[5]2C)	C(N[5]C[5]2O)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	O(N[5]C[5]2C)	C(N[5]C[5]2O)(CCH)(H)	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	111.3473	1.230	3	111.3473	1.230	3
999	863	930	0:SP3_SP2_SP2	N[5]	O	C	4:4:3:1:	4:	4:3:3:	C[5]-4:C[5]-4:C-3:O-1:	N[5]-4:	N[5]-4:C-3:C-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	O(N[5]C[5]2C)	C(N[5]C[5]2O)(CCH)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	O(N[5]C[5]2C)	C(N[5]C[5]2O)(CCH)(COO)	110.7245	0.363	2	110.7245	0.132	2	110.7245	0.132	2	110.7245	0.132	2	111.3473	1.230	3	111.3473	1.230	3
999	885	885	6:SP3_SP-NON_SP-NON	N[5,5,6,6]	Ga[5,3x6]	Ga[5,5,6,6]	4:4:3:1:	4:3:3:4:	4:4:3:4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6,6]-3:C-4:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3){1|N<3>,2|O<3>,3|N<4>,6|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	110.1035	75.553	4
999	885	885	6:SP3_SP-NON_SP-NON	N[5,5,6,6]	Ga[5,6,6]	Ga[5,5,6,6]	4:4:3:1:	4:3:3:4:	4:3:4:4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6]-3:C-4:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3){2|N<3>,2|O<3>,3|N<4>,6|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	110.1035	75.553	4
999	885	885	6:SP3_SP-NON_SP-NON	N[5,5,6]	Ga[5,5,6]	Ga[5,5,6,6]	4:4:3:1:	3:4:3:4:	4:4:3:4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	O[5,6,6]-3:N[5,5,6]-4:N[5,5]-3:C-4:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<4>,3|O<3>,4|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	103.5050	0.000	1	103.5050	0.000	1	103.5050	0.000	1	103.5050	0.000	1	102.6265	1.544	2	110.1035	75.553	4
999	885	885	6:SP3_SP-NON_SP-NON	N[5,5,6]	Ga[5,5,6]	Ga[5,5,6,6]	4:4:3:1:	4:3:3:4:	4:3:4:4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:O[5,6]-3:N[5,5]-3:C-4:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,3|O<3>,4|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	101.7480	0.000	1	101.7480	0.000	1	101.7480	0.000	1	101.7480	0.000	1	102.6265	1.544	2	110.1035	75.553	4
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6,6]	Ga[5,3x6]	H	4:4:3:1:	4:3:3:4:	4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6,6]-3:C-4:	N[5,5,6,6]-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3)	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]N[5,5])	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3){1|N<3>,2|O<3>,3|N<4>,6|C<4>}	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]N[5,5])	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6,6]	Ga[5,5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	N[5,5,6,6]-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]N[5,5])	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]N[5,5])	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	112.2040	30.467	2	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6,6]	Ga[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	N[5,5,6,6]-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]N[5,5])	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]N[5,5])	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	112.2040	30.467	2	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6,6]	Ga[5,6,6]	H	4:4:3:1:	4:3:3:4:	4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6]-3:C-4:	N[5,5,6,6]-4:	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3)	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]N[5,5])	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3){2|N<3>,2|O<3>,3|N<4>,6|C<4>}	H(N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]N[5,5])	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6]	Ga[5,5,6,6]	H	4:4:3:1:	4:3:4:4:	4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	N[5,5,6]-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	107.5590	1.214	2	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6]	Ga[5,5,6,6]	H	4:4:3:1:	4:4:3:4:	4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	N[5,5,6]-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	107.5590	1.214	2	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6]	Ga[5,5,6]	H	4:4:3:1:	3:4:3:4:	4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	O[5,6,6]-3:N[5,5,6]-4:N[5,5]-3:C-4:	N[5,5,6]-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3)	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<4>,3|O<3>,4|C<4>}	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	114.0260	0.000	1	114.0260	0.000	1	114.0260	0.000	1	114.0260	0.000	1	115.0105	1.938	2	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5,5,6]	Ga[5,5,6]	H	4:4:3:1:	4:3:3:4:	4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5,5,6]-4:O[5,6]-3:N[5,5]-3:C-4:	N[5,5,6]-4:	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3)	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,3|O<3>,4|C<4>}	H(N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]N[5])	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	115.0105	1.938	2	111.9831	17.221	9
999	885	951	0:SP3_SP-NON_SP-NON	N[5]	Ga[5]	H	4:4:4:1:	4:2:2:2:	4:	Ga[5]-4:C[5]-4:C-4:H-1:	N[5]-4:O[5]-2:O-2:O-2:	N[5]-4:	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2	H(N[5]Ga[5]C[5]C)	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2{1|C<4>,1|H<1>,1|O<1>}	H(N[5]Ga[5]C[5]C)	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	111.9831	17.221	9
999	885	976	5:SP3_SP-NON_SP3	N[5]	Ga[5]	O[5]	4:2:4:4:	4:3:4:4:	4:4:	Ga[5]-4:O[5]-2:C-4:C-4:	N[5]-4:O[5]-3:C-4:C-4:	Ga[5]-4:N[5]-4:	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2	Ga[5](N[5]O[5]CC)(O[5]Ga[5]N)(CC3)2	O[5](Ga[5]O[5]CC)(N[5]Ga[5]CC)	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2{1|N<3>,2|C<4>}	Ga[5](N[5]O[5]CC)(O[5]Ga[5]N)(CC3)2{2|C<4>}	O[5](Ga[5]O[5]CC)(N[5]Ga[5]CC){1|N<3>,2|C<4>}	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1
999	928	960	5:SP3_SP2_SPD6	N[5]	Si[5,5]	N[5]	6:2:4:4:	4:4:2:2:1:1:	4:3:	Si[5,5]-6:N[5]-2:C-4:C-4:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	N[5]-4:C[5]-3:	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	N[5](N[5]Si[5,5]CC)(C[5]C[6a]O[5])	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	N[5](N[5]Si[5,5]CC)(C[5]C[6a]O[5]){1|N<4>,1|O<2>,2|C<3>,2|F<1>}	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1
999	930	951	0:SP3_SP-NON_SP2	N[5]	C	H	4:3:3:1:	4:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C(N[5]C[5]2H)(CHHN)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	C(N[5]C[5]2H)(CHHN)(H)	H(N[5]C[5]2C)	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1
999	931	951	0:SP3_SP-NON_SPD5	N[5]	Si[5,5]	H	5:4:4:1:	3:4:3:2:2:	4:	Si[5,5]-5:C[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-4:	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	H(N[5]Si[5,5]C[5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,5|C<3>}	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	H(N[5]Si[5,5]C[5]C)	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1
999	931	960	5:SP3_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:2:4:4:	3:4:4:2:2:	4:3:	Si[5,5]-5:N[5]-2:C-4:C-4:	C[6a]-3:N[5]-4:N[5]-4:O[5]-2:O[5]-2:	N[5]-4:C[5]-3:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2	Si[5,5](C[6a]C[6a]2)(N[5]N[5]CC)2(O[5]C[5])2	N[5](N[5]Si[5,5]CC)(C[5]O[5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2{1|N<2>,3|C<3>,3|C<4>}	Si[5,5](C[6a]C[6a]2)(N[5]N[5]CC)2(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]Si[5,5]CC)(C[5]O[5]C){1|C<3>,1|N<4>,1|O<2>}	105.8635	0.134	2	105.8635	0.018	2	105.8635	0.018	2	105.8635	0.018	2	107.3963	7.058	3	106.9994	4.286	5
999	931	960	5:SP3_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:2:4:4:	4:4:3:2:2:	4:3:	Si[5,5]-5:N[5]-2:C-4:C-4:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-4:C[5]-3:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	N[5](N[5]Si[5,5]CC)(C[5]O[5]C)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	N[5](N[5]Si[5,5]CC)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	107.3963	7.058	3	106.9994	4.286	5
999	931	960	5:SP3_SP2_SPD5	N[5]	Si[5]	N[5]	5:2:4:4:	3:4:2:2:1:	3:4:	Si[5]-5:N[5]-2:C-4:C-4:	C[6a]-3:N[5]-4:O[5]-2:O-2:H-1:	C[5]-3:N[5]-4:	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2	Si[5](C[6a]C[6a]2)(N[5]N[5]CC)(O[5]C[5])(OC)(H)	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC)	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2{3|C<3>}	Si[5](C[6a]C[6a]2)(N[5]N[5]CC)(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC){1|H<1>,1|O<2>,3|C<3>}	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	106.4040	1.847	2	106.9994	4.286	5
999	931	960	5:SP3_SP2_SPD5	N[5]	Si[5]	N[5]	5:2:4:4:	4:2:2:1:1:	3:4:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:O[5]-2:O-2:Br-1:Br-1:	C[5]-3:N[5]-4:	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2	Si[5](N[5]N[5]CC)(O[5]C[5])(OC)(Br)2	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC)	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2{1|C<3>}	Si[5](N[5]N[5]CC)(O[5]C[5])(OC)(Br)2{1|C<3>}	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC){2|Br<1>,1|O<2>,2|C<3>}	105.4430	0.000	1	105.4430	0.000	1	105.4430	0.000	1	105.4430	0.000	1	106.4040	1.847	2	106.9994	4.286	5
999	939	946	0:SP3_SP1_SP2	N[5,5,6]	Ge[5,5,6]	Ge[5]	4:3:2:4:	3:4:3:	4:3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-3:	N[5,5,6]-4:C[5,6a]-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)	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)	Ge[5](N[5,5,6]Ge[5,5,6]C[5,5,6]C)(C[5,6a]C[5,6a]C[6a])	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>}	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>}	Ge[5](N[5,5,6]Ge[5,5,6]C[5,5,6]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	86.2054	0.000	1	86.2054	0.000	1	86.2054	0.000	1	86.2054	0.000	1	86.2054	0.000	1	86.2054	0.000	1
999	939	951	0:SP3_SP-NON_SP2	N[5,6,6]	Ge[5,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	N[5,6,6]-4:	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])	H(N[5,6,6]C[5,6,6]Ge[5,6]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)(H){1|C<4>,1|N<3>,2|H<1>,4|C<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]){3|C<4>,4|C<3>,4|H<1>}	H(N[5,6,6]C[5,6,6]Ge[5,6]C[6])	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1
999	951	951	0:SP3_SP-NON_SP-NON	N[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	N[5,5]-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	H(N[5,5]C[4,5,5]C[5,5]H)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	H(N[5,5]C[4,5,5]C[5,5]H)	109.5418	1.400	6	109.5418	1.961	6	109.5418	1.961	6	109.8315	4.085	11	109.8315	4.085	11	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5]-4:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	H(N[5,5]C[5,5,6]2H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{2|C<3>,2|H<1>}	H(N[5,5]C[5,5,6]2H)	H(N[5,5]C[5,5,6]2H)	110.1110	0.000	1	110.1110	0.000	1	110.1790	7.485	5	109.8315	4.085	11	109.8315	4.085	11	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5]-4:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(N[5,5]C[5,5,6]2H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(N[5,5]C[5,5,6]2H)	H(N[5,5]C[5,5,6]2H)	106.2790	0.000	1	110.1960	9.978	4	110.1790	7.485	5	109.8315	4.085	11	109.8315	4.085	11	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5]-4:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(N[5,5]C[5,5,6]2H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{8|H<1>}	H(N[5,5]C[5,5,6]2H)	H(N[5,5]C[5,5,6]2H)	111.5017	2.177	3	110.1960	9.978	4	110.1790	7.485	5	109.8315	4.085	11	109.8315	4.085	11	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:	N[5,6]-4:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(N[5,6]C[5,5,6]C[5,6]H)	H(N[5,6]C[5,5,6]C[5,6]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|H<1>}	H(N[5,6]C[5,5,6]C[5,6]H)	H(N[5,6]C[5,5,6]C[5,6]H)	105.6850	4.369	2	105.6850	19.084	2	105.6850	19.084	2	108.2442	16.893	4	108.2442	16.893	4	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	H(N[5,6]C[5,6]2H)	H(N[5,6]C[5,6]2H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,7|H<1>}	H(N[5,6]C[5,6]2H)	H(N[5,6]C[5,6]2H)	109.1610	0.000	1	110.8035	5.396	2	110.8035	5.396	2	108.2442	16.893	4	108.2442	16.893	4	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	H(N[5,6]C[5,6]2H)	H(N[5,6]C[5,6]2H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|O<2>,7|H<1>}	H(N[5,6]C[5,6]2H)	H(N[5,6]C[5,6]2H)	112.4460	0.000	1	110.8035	5.396	2	110.8035	5.396	2	108.2442	16.893	4	108.2442	16.893	4	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]C)(O[5]C[5])(H)2	H(N[5]C[5]O[5]H)	H(N[5]C[5]O[5]H)	N[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	H(N[5]C[5]O[5]H)	H(N[5]C[5]O[5]H)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(N[5]C[5,6a]C[5]H)	H(N[5]C[5,6a]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5]H)	H(N[5]C[5,6a]C[5]H)	111.0480	0.000	1	111.0480	0.000	1	110.0470	2.004	2	110.0470	2.004	2	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(N[5]C[5,6a]C[5]H)	H(N[5]C[5,6a]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(N[5]C[5,6a]C[5]H)	H(N[5]C[5,6a]C[5]H)	109.0460	0.000	1	109.0460	0.000	1	110.0470	2.004	2	110.0470	2.004	2	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	H(N[5]C[5,6]O[5]H)	H(N[5]C[5,6]O[5]H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(N[5]C[5,6]O[5]H)	H(N[5]C[5,6]O[5]H)	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	H(N[5]B[5,6]C[5]H)	H(N[5]B[5,6]C[5]H)	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(N[5]B[5,6]C[5]H)	H(N[5]B[5,6]C[5]H)	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5,6a]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	H(N[5]B[5,6a]C[5]H)	H(N[5]B[5,6a]C[5]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(N[5]B[5,6a]C[5]H)	H(N[5]B[5,6a]C[5]H)	108.2100	0.000	1	108.2100	0.000	1	108.4177	0.033	3	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5,6a]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	H(N[5]B[5,6a]C[5]H)	H(N[5]B[5,6a]C[5]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(N[5]B[5,6a]C[5]H)	H(N[5]B[5,6a]C[5]H)	108.5215	0.018	2	108.5215	0.000	2	108.4177	0.033	3	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	104.9400	0.000	1	104.9400	0.000	1	107.8774	7.340	5	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	109.2480	3.991	2	109.2480	15.927	2	107.8774	7.340	5	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	108.6930	0.000	1	108.6930	0.000	1	107.8774	7.340	5	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(N[5]B[5]C[5]H)	H(N[5]B[5]C[5]H)	107.2580	0.000	1	107.2580	0.000	1	107.8774	7.340	5	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	H(N[5]C[4,5]C[5]H)	H(N[5]C[4,5]C[5]H)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(N[5]C[4,5]C[5]H)	H(N[5]C[4,5]C[5]H)	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(N[5]C[5,5]C[5]H)	H(N[5]C[5,5]C[5]H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(N[5]C[5,5]C[5]H)	H(N[5]C[5,5]C[5]H)	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	106.6505	2.801	4	106.6505	7.844	4	107.6159	4.457	8	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	108.5010	0.000	1	108.5010	0.000	1	107.6159	4.457	8	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	108.8210	0.000	1	108.8210	0.000	1	107.6159	4.457	8	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	108.7580	0.000	1	108.7580	0.000	1	107.6159	4.457	8	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(N[5]C[5,6]C[5]H)	H(N[5]C[5,6]C[5]H)	108.2450	0.000	1	108.2450	0.000	1	107.6159	4.457	8	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	105.1760	0.000	1	105.1760	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[3,5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	104.7350	0.000	1	104.7350	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[3x5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.7805	0.071	2	108.7805	0.005	2	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[4,5,5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[4,5,5]HH)2(H)2{4|C<4>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.6150	0.000	1	108.6150	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,5,6]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,5,6]HH)2(H)2{4|C<4>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.3175	0.148	2	108.3175	0.022	2	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.2270	0.000	1	108.2270	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	106.8680	0.000	1	106.8680	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.9510	0.000	1	108.9510	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,5a]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	107.9100	0.000	1	107.9100	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,6]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.1960	0.000	1	108.1960	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5,6a]CC)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	102.0080	0.000	1	102.0080	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.7435	0.350	2	108.7435	0.123	2	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	105.4393	7.125	3	105.4393	50.760	3	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.5315	0.140	4	108.5315	0.019	4	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	104.1480	0.000	1	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	110.6500	0.000	1	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.8280	0.826	3	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	112.7090	0.000	1	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.9672	3.009	6	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|S<2>,3|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	123.1410	0.000	1	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.5370	2.581	72	108.7717	9.175	85	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	106.6770	3.798	11	106.6770	14.424	11	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2{2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	106.0200	0.000	1	106.0200	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	109.1910	0.856	2	108.0228	4.099	11	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	102.0400	0.000	1	108.0228	4.099	11	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.4786	0.098	8	108.0228	4.099	11	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	106.2463	0.615	3	106.2463	0.378	3	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.4080	0.000	1	108.3245	7.721	33	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|F<1>,3|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.2830	0.177	4	108.3245	7.721	33	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	112.5620	1.290	3	108.3245	7.721	33	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.1270	0.000	1	108.3245	7.721	33	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	107.8065	2.823	24	108.3245	7.721	33	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	107.2233	2.473	4	107.2233	6.114	4	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.3650	0.000	1	108.0260	1.680	5	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	108.9270	0.000	1	108.0260	1.680	5	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	107.4295	2.254	2	108.0260	1.680	5	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|H<1>,4|C<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	107.9790	0.000	1	108.0260	1.680	5	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	112.6940	0.000	1	112.6940	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	114.4120	0.000	1	114.4120	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	H(N[5]C[5]2H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(N[5]C[5]2H)	H(N[5]C[5]2H)	109.4670	0.000	1	109.4670	0.000	1	108.2875	8.760	178	108.2610	8.257	197	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	5:4:1:1:	4:	4:	Ga[3x5]-5:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2	H(N[5]Ga[3x5]C[5]H)	H(N[5]Ga[3x5]C[5]H)	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(N[5]Ga[3x5]C[5]H)	H(N[5]Ga[3x5]C[5]H)	108.3290	0.030	2	108.3290	0.001	2	108.3290	0.001	2	108.3290	0.001	2	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	6:4:1:1:	4:	4:	Ge[5]-6:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2	H(N[5]Ge[5]C[5]H)	H(N[5]Ge[5]C[5]H)	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2{4|H<1>}	H(N[5]Ge[5]C[5]H)	H(N[5]Ge[5]C[5]H)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	107.8565	0.216	2	108.2817	7.943	206	108.3582	7.932	221
999	951	951	0:SP3_SP-NON_SP-NON	N[5]	H	H	6:4:1:1:	4:	4:	In[3x5]-6:C[5]-4:H-1:H-1:	N[5]-4:	N[5]-4:	N[5](In[3x5]N[5,5]2N[5]Te2)(C[5]C[5]HH)(H)2	H(N[5]In[3x5]C[5]H)	H(N[5]In[3x5]C[5]H)	N[5](In[3x5]N[5,5]2N[5]Te2)(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(N[5]In[3x5]C[5]H)	H(N[5]In[3x5]C[5]H)	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	107.8565	0.216	2	108.2817	7.943	206	108.3582	7.932	221
999	951	952	0:SP3_SP-NON_SP3	N[5]	H	S	4:4:4:1:	4:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-4:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	H(N[5]C[5]2S)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	H(N[5]C[5]2S)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	102.8100	0.000	1	102.8100	0.000	1	102.4820	0.084	3	102.4820	0.084	3	102.4820	0.084	3	102.4820	0.084	3
999	951	952	0:SP3_SP-NON_SP3	N[5]	H	S	4:4:4:1:	4:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-4:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	H(N[5]C[5]2S)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	H(N[5]C[5]2S)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	102.2640	0.000	1	102.2640	0.000	1	102.4820	0.084	3	102.4820	0.084	3	102.4820	0.084	3	102.4820	0.084	3
999	951	952	0:SP3_SP-NON_SP3	N[5]	H	S	4:4:4:1:	4:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-4:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	H(N[5]C[5]2S)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	H(N[5]C[5]2S)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	102.3720	0.000	1	102.3720	0.000	1	102.4820	0.084	3	102.4820	0.084	3	102.4820	0.084	3	102.4820	0.084	3
999	951	976	0:SP3_SP-NON_SP2	N[5]	H	O[5]	3:2:1:1:	4:	4:3:	C[5]-3:O[5]-2:H-1:H-1:	N[5]-4:	N[5]-4:C[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(H)2	H(N[5]C[5]O[5]H)	O[5](N[5]C[5]HH)(C[5]C[5]2)	N[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	H(N[5]C[5]O[5]H)	O[5](N[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>}	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	111.3185	1.443	2	111.3185	1.443	2
999	951	976	0:SP3_SP-NON_SP2	N[5]	H	O[5]	4:4:2:1:	4:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	N[5]-4:	N[5]-4:C[5]-3:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	H(N[5]C[5]O[5]C)	O[5](N[5]C[5]CH)(C[5]N[5]N)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	H(N[5]C[5]O[5]C)	O[5](N[5]C[5]CH)(C[5]N[5]N){2|C<3>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.3185	1.443	2	111.3185	1.443	2
999	951	976	0:SP3_SP-NON_SP3	N[5,6]	H	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:	N[5,6]-4:C[5]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	H(N[5,6]C[5,6]C[6]O[5])	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	H(N[5,6]C[5,6]C[6]O[5])	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	106.8970	1.130	2	106.8970	1.277	2	106.8970	1.277	2	106.8970	1.277	2	106.8970	1.277	2	108.4644	6.723	7
999	951	976	0:SP3_SP-NON_SP3	N[5]	H	O[5]	4:2:1:1:	4:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5]-4:	C[5]-4:N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	H(N[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(N[5]C[5,6]O[5]H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	109.8860	0.048	2	109.8860	0.002	2	109.8860	0.002	2	109.8860	0.002	2	109.0914	8.046	5	108.4644	6.723	7
999	951	976	0:SP3_SP-NON_SP3	N[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5]-4:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(N[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	H(N[5]C[5,6]O[5]C)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH){2|C<4>,2|H<1>}	104.7190	0.000	1	104.7190	0.000	1	104.7190	0.000	1	108.5617	15.039	3	109.0914	8.046	5	108.4644	6.723	7
999	951	976	0:SP3_SP-NON_SP3	N[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:	C[5]-4:N[5]-4:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	H(N[5]C[5]O[5]C)	O[5](C[5]C[5]HH)(N[5]C[5]CH)	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	H(N[5]C[5]O[5]C)	O[5](C[5]C[5]HH)(N[5]C[5]CH){2|C<4>,2|H<1>}	108.4920	0.000	1	108.4920	0.000	1	110.4830	7.928	2	108.5617	15.039	3	109.0914	8.046	5	108.4644	6.723	7
999	951	976	0:SP3_SP-NON_SP3	N[5]	H	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:	C[5]-4:N[5]-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	H(N[5]C[5]O[5]C)	O[5](C[5]C[5]HS)(N[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	H(N[5]C[5]O[5]C)	O[5](C[5]C[5]HS)(N[5]C[5]CH){1|C<3>,1|S<4>,2|H<1>}	112.4740	0.000	1	112.4740	0.000	1	110.4830	7.928	2	108.5617	15.039	3	109.0914	8.046	5	108.4644	6.723	7
1000	846	846	4:SP-NON_SP2_SP2	P[4]	C[4]	C[4]	3:3:	3:3:2:	3:3:2:	C[4]-3:C[4]-3:	C[5]-3:P[4]-3:P[4]-2:	C[5]-3:P[4]-3:P[4]-2:	P[4](C[4]C[5]P[4])2	C[4](C[5]C[5]N[5])(P[4]C[4]P)(P[4]C[4])	C[4](C[5]C[5]N[5])(P[4]C[4]P)(P[4]C[4])	P[4](C[4]C[5]P[4])2{1|P<2>,2|C<4>,2|N<3>}	C[4](C[5]C[5]N[5])(P[4]C[4]P)(P[4]C[4]){2|C<3>,4|C<4>}	C[4](C[5]C[5]N[5])(P[4]C[4]P)(P[4]C[4]){2|C<3>,4|C<4>}	84.9157	0.000	1	84.9157	0.000	1	84.9157	0.000	1	84.9157	0.000	1	86.4137	4.488	2	86.4137	4.488	2
1000	846	846	4:SP-NON_SP2_SP2	P[4]	C[4]	C[4]	3:3:	3:4:2:	3:4:2:	C[4]-3:C[4]-3:	C[5]-3:P[4]-4:P[4]-2:	C[5]-3:P[4]-4:P[4]-2:	P[4](C[4]C[5]P[4])2	C[4](C[5]C[5]N[5])(P[4]C[4]OO)(P[4]C[4])	C[4](C[5]C[5]N[5])(P[4]C[4]OO)(P[4]C[4])	P[4](C[4]C[5]P[4])2{2|C<4>,2|N<3>,2|O<1>}	C[4](C[5]C[5]N[5])(P[4]C[4]OO)(P[4]C[4]){2|C<3>,4|C<4>}	C[4](C[5]C[5]N[5])(P[4]C[4]OO)(P[4]C[4]){2|C<3>,4|C<4>}	87.9117	0.000	1	87.9117	0.000	1	87.9117	0.000	1	87.9117	0.000	1	86.4137	4.488	2	86.4137	4.488	2
1000	846	882	4:SP-NON_SP2_SP3	P[4]	C[4]	P[4]	3:3:	4:3:2:	3:3:2:	C[4]-3:P[4]-3:	C[3x6]-4:P[4]-3:P[4]-2:	C-3:P[4]-3:P[4]-2:	P[4](C[4]C[3x6]P[4])(P[4]P[4]C)	C[4](C[3x6]C[6,6]3)(P[4]P[4]C)(P[4]P[4])	P[4](CC[3x6]C[5])(P[4]C[4]C)(P[4]C[4])	P[4](C[4]C[3x6]P[4])(P[4]P[4]C){1|C<3>,3|C<4>}	C[4](C[3x6]C[6,6]3)(P[4]P[4]C)(P[4]P[4]){1|C<3>,3|C<4>,6|H<1>}	P[4](CC[3x6]C[5])(P[4]C[4]C)(P[4]C[4]){1|C<4>}	86.2016	0.000	1	86.2016	0.000	1	86.2016	0.000	1	86.2016	0.000	1	86.2016	0.000	1	86.2016	0.000	1
1000	846	907	4:SP-NON_SP2_SP3	P[4]	C[4]	Ge[4,5]	4:3:	3:4:2:	3:3:3:2:	Ge[4,5]-4:C[4]-3:	Ge[4,5]-3:C[3x6]-4:P[4]-2:	C[5,6a]-3:Ge[4,5]-3:C[6a]-3:P[4]-2:	P[4](Ge[4,5]C[5,6a]Ge[4,5]C[6a])(C[4]Ge[4,5]C[3x6])	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5])	Ge[4,5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]C[4]P[5])(C[6a]C[6a]2)(P[4]C[4])	P[4](Ge[4,5]C[5,6a]Ge[4,5]C[6a])(C[4]Ge[4,5]C[3x6]){1|P<4>,3|C<4>,4|C<3>}	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5]){3|C<4>,5|C<3>,6|H<1>}	Ge[4,5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]C[4]P[5])(C[6a]C[6a]2)(P[4]C[4]){1|C<4>,1|H<1>,8|C<3>}	86.9196	0.291	2	86.9196	0.085	2	86.9196	0.085	2	86.9196	0.085	2	86.9196	0.085	2	86.9196	0.085	2
1000	907	907	4:SP-NON_SP3_SP3	P[4]	Ge[4,6]	Ge[4,6]	4:4:	3:3:2:2:	3:3:2:2:	Ge[4,6]-4:Ge[4,6]-4:	N[6]-3:N[6]-3:P[4]-2:P[4]-2:	N[6]-3:N[6]-3:P[4]-2:P[4]-2:	P[4](Ge[4,6]N[6]2P[4])2	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2	P[4](Ge[4,6]N[6]2P[4])2{8|C<3>}	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2{2|C<4>,2|N<3>,5|C<3>}	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2{2|C<4>,2|N<3>,5|C<3>}	76.7503	0.000	1	76.7503	0.000	1	76.7503	0.000	1	76.7503	0.000	1	76.7503	0.000	1	76.7503	0.000	1