818	542	562	0:SP2_SP2_SP3	C[5]	N[5]	Si[5]	4:3:3:	3:3:4:	3:3:3:2:	Si[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:As-2:	C[5](Si[5]N[5]2As)(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	Si[5](C[5]N[5]2)(N[5]C[5]C)2(AsZn)	C[5](Si[5]N[5]2As)(N[5]C[5]C)2{2|C<3>,4|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	Si[5](C[5]N[5]2)(N[5]C[5]C)2(AsZn){2|C<3>,2|C<4>,2|H<1>}	127.0040	4.541	2	127.0040	20.621	2	127.0040	20.621	2	127.0040	20.621	2	126.7700	21.648	4	126.7700	21.648	4
818	542	562	0:SP2_SP2_SP3	C[5]	N[5]	Si[5]	4:3:3:	3:3:4:	6:3:3:4:	Si[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:B-4:	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3)	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2{1|C<3>,1|C<6>,3|C<4>,4|B<6>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	126.5360	6.641	2	126.5360	44.105	2	126.5360	44.105	2	126.5360	44.105	2	126.7700	21.648	4	126.7700	21.648	4
818	542	562	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Si[5]	3:4:3:	3:4:3:	3:4:4:4:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3)(C[6]C[6]H){2|Si<4>,2|C<4>,4|H<1>,5|C<3>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	114.8250	0.000	1	114.8250	0.000	1	115.2927	0.391	3	115.7918	0.668	5	115.6493	0.506	7	115.6493	0.506	7
818	542	562	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Si[5]	3:4:3:	3:4:3:	3:4:4:4:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,1|C<3>,4|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	116.0030	0.000	1	116.0030	0.000	1	115.2927	0.391	3	115.7918	0.668	5	115.6493	0.506	7	115.6493	0.506	7
818	542	562	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Si[5]	3:4:3:	3:4:3:	3:4:4:4:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	115.0500	0.000	1	115.0500	0.000	1	115.2927	0.391	3	115.7918	0.668	5	115.6493	0.506	7	115.6493	0.506	7
818	542	562	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Si[5]	3:4:3:	3:4:3:	3:4:4:4:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:In[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]Cl2)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]Cl2)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	116.6410	0.000	1	116.6410	0.000	1	116.5405	0.020	2	115.7918	0.668	5	115.6493	0.506	7	115.6493	0.506	7
818	542	562	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Si[5]	3:4:3:	3:4:3:	3:4:4:4:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:In[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]II)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|H<1>,2|I<1>}	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]II)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|I<1>}	116.4400	0.000	1	116.4400	0.000	1	116.5405	0.020	2	115.7918	0.668	5	115.6493	0.506	7	115.6493	0.506	7
818	542	562	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Si[5]	3:4:3:	3:5:3:	3:4:4:4:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-5:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3Fe)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){1|Fe<11>,2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3Fe)(C[6]C[6]H){2|Si<4>,1|C<3>,2|H<1>,6|C<4>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|Fe<11>,1|H<1>,2|C<3>,2|C<4>}	115.2930	0.088	2	115.2930	0.008	2	115.2930	0.008	2	115.2930	0.008	2	115.6493	0.506	7	115.6493	0.506	7
818	542	598	0:SP2_SP2_SP2	C[5]	N[5]	Si[4]	3:3:3:	3:3:4:	3:3:3:	Si[4]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[4]-3:N[4]-3:C[5]-3:	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3)	Si[4](N[4]C[6a]Si[4])2(C[5]C[5]N[5])	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	Si[4](N[4]C[6a]Si[4])2(C[5]C[5]N[5]){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	133.8010	0.007	2	133.8010	0.000	2	133.8010	0.000	2	133.8010	0.000	2	133.8010	0.000	2	133.8010	0.000	2
818	542	606	0:SP2_SP2_SP3	C[5]	N[5]	Ge[5]	4:3:3:	3:3:4:	4:4:3:1:	Ge[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:Cl-1:	C[5](Ge[5]C[5]2Cl)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	Ge[5](C[5]C[5]HH)2(C[5]N[5]2)(Cl)	C[5](Ge[5]C[5]2Cl)(N[5]C[5]C)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	Ge[5](C[5]C[5]HH)2(C[5]N[5]2)(Cl){2|C<3>,4|C<4>}	125.8300	1.689	2	125.8300	2.851	2	125.8300	2.851	2	125.8300	2.851	2	125.8300	2.851	2	125.8300	2.851	2
818	542	610	0:SP2_SP2_SP3	C[5]	N[5,5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5,5]-3:N[5,5]-3:B-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])2(BH3)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	B(C[5]N[5,5]2)(H)3	C[5](N[5,5]C[5,5]C[5])2(BH3){2|H<1>,2|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	B(C[5]N[5,5]2)(H)3	128.9245	0.812	2	128.9245	0.660	2	128.9245	0.660	2	128.9245	0.660	2	128.6358	4.152	4	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5,5]	B	3:3:4:	3:3:4:	3:4:4:1:	N[5,5]-3:N[5,5]-3:B-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:C[6]-4:C[6]-4:Cl-1:	C[5](N[5,5]C[5,5]C[5])2(BC[6]2Cl)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	B(C[5]N[5,5]2)(C[6]C[6]2H)2(Cl)	C[5](N[5,5]C[5,5]C[5])2(BC[6]2Cl){2|H<1>,2|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	B(C[5]N[5,5]2)(C[6]C[6]2H)2(Cl)	128.3470	3.386	2	128.3470	11.462	2	128.3470	11.462	2	128.3470	11.462	2	128.6358	4.152	4	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:2:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3)	N[5](C[5]N[5]B)(N[5]C[5])(CH3)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3){1|H<1>}	N[5](C[5]N[5]B)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(H)3	129.7850	0.000	1	129.7850	0.000	1	129.7850	0.000	1	129.7850	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:2:	3:1:1:1:	C[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5])	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3){5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5]){2|H<1>,4|C<3>}	B(C[5]C[5]N[5])(H)3	126.1430	0.000	1	126.1430	0.000	1	126.1430	0.000	1	126.1430	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:2:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5])	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	130.9120	2.765	2	130.9120	7.644	2	130.9120	7.644	2	130.9120	7.644	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Br-1:Br-1:Br-1:	C[5](N[5]C[6a]C[5])2(BBr3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(Br)3	C[5](N[5]C[6a]C[5])2(BBr3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(Br)3	127.6455	1.126	2	127.6455	1.269	2	127.6455	1.269	2	127.6699	2.155	15	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(BCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(Cl)3	C[5](N[5]C[6a]C[5])2(BCl3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(Cl)3	127.4917	1.671	4	127.4917	2.792	4	127.4917	2.792	4	127.6699	2.155	15	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<3>,3|C<4>}	B(C[5]N[5]2)(H)3	128.4250	1.267	3	128.4250	1.604	3	128.2308	2.598	5	127.6699	2.155	15	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(BH3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(H)3	127.9395	2.627	2	127.9395	6.901	2	128.2308	2.598	5	127.6699	2.155	15	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:I-1:	C[5](N[5]C[6a]C[5])2(BHHI)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])2(BHHI){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(H)2(I)	127.3915	0.712	2	127.3915	0.507	2	127.3915	0.507	2	127.6699	2.155	15	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:I-1:I-1:I-1:	C[5](N[5]C[6a]C[5])2(BI3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(I)3	C[5](N[5]C[6a]C[5])2(BI3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(I)3	126.9265	2.583	2	126.9265	6.672	2	126.9265	6.672	2	127.6699	2.155	15	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-2:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BHHN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(NC)(H)2	127.4015	0.273	4	127.4015	0.075	4	127.3683	0.051	6	127.3669	0.254	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-2:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BHHN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(NN)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(NN)(H)2	127.3020	0.137	2	127.3020	0.019	2	127.3683	0.051	6	127.3669	0.254	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O-2:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(BCl2O)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(OS)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2O){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(OS)(Cl)2	127.2860	1.352	2	127.2860	1.828	2	127.2860	1.828	2	127.3669	0.254	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O-2:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BHHO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[6a]C[5])2(BHHO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(ON)(H)2	127.4435	0.424	2	127.4435	0.179	2	127.4435	0.179	2	127.3669	0.254	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:2:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-2:C-2:I-1:	C[5](N[5]C[6a]C[5])2(BCCI)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[6a]C[5])2(BCCI){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(CN)2(I)	126.7680	0.028	2	126.7680	0.001	2	126.7680	0.001	2	126.7680	0.001	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:2:2:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-2:S-2:S-2:	C[5](N[5]C[6a]C[5])2(BCSS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[6a]C[5])2(BCSS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(CN)(SC)2	127.3935	0.740	2	127.3935	0.548	2	127.3935	0.548	2	127.5692	2.287	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:2:2:2:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S-2:S-2:S-2:	C[5](N[5]C[6a]C[5])2(BS3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(SC)3	C[5](N[5]C[6a]C[5])2(BS3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(SC)3	127.7450	2.488	2	127.7450	6.188	2	127.7450	6.188	2	127.5692	2.287	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:B-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(BCl2B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2B){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(BC[6a]2)(Cl)2	126.9230	1.252	2	126.9230	1.566	2	126.9230	1.566	2	127.4391	1.323	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-3:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(CCC)(H)2	C[5](N[5]C[6a]C[5])2(BCHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(CCC)(H)2	127.6695	0.684	2	127.6695	0.468	2	127.6695	0.468	2	127.4391	1.323	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(BCl2N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2N){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(NC[6a]2)(Cl)2	127.7430	2.496	2	127.7430	6.230	2	127.7430	6.230	2	127.4391	1.323	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-3:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BHHN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(NOO)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(NOO)(H)2	127.3660	1.670	2	127.3660	2.790	2	127.3660	2.790	2	127.4391	1.323	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BN[5]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(N[5]C[5,5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BN[5]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(N[5]C[5,5]N[5])(C[5]N[5]2)(H)2	127.5565	0.436	2	127.5565	0.190	2	127.5565	0.190	2	127.4391	1.323	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5a]-3:C[5]-3:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	127.4235	1.218	8	127.4235	1.484	8	127.4235	1.484	8	127.4391	1.323	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	132.8110	0.000	1	132.8110	0.000	1	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	137.9200	0.000	1	137.9200	0.000	1	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	135.5753	0.617	3	135.5753	0.380	3	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]V)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|V<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	135.4440	0.000	1	135.4440	0.000	1	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|As<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	138.0030	0.000	1	138.0030	0.000	1	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<3>,3|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	135.1370	0.000	1	136.1707	0.865	3	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	136.4360	0.000	1	136.1707	0.865	3	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	136.9390	0.000	1	136.1707	0.865	3	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Li<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	126.7760	0.000	1	126.7760	0.000	1	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	135.1350	0.000	1	135.1350	0.000	1	135.1106	8.876	12	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]P)2(BC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[5](N[5]C[5]P)2(BC[6a]3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC){1|H<1>,1|P<3>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	127.4075	4.962	2	127.4075	24.619	2	127.4075	24.619	2	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<3>,3|C<4>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	130.6200	1.233	2	130.6200	1.521	2	129.3277	11.261	4	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(BC[6a]3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	128.0355	5.058	2	128.0355	25.583	2	129.3277	11.261	4	132.9696	19.175	18	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:B-4:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BBHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(BC[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(BBHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(BC[5]HH)(H)2	128.1240	0.559	6	128.1240	0.312	6	128.1240	0.312	6	127.7403	5.193	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:Cl-1:H-1:	C[5](N[5]C[6a]C[5])2(BClCH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(CCCH)(Cl)(H)	C[5](N[5]C[6a]C[5])2(BClCH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(CCCH)(Cl)(H)	127.6805	4.885	4	127.6805	23.866	4	127.6805	23.866	4	127.7403	5.193	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-4:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BHHN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(NBCH)(H)2	127.4830	1.005	4	127.4830	1.010	4	127.4830	1.010	4	127.7403	5.193	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S-4:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BHHS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(SC[5a]OO)(H)2	C[5](N[5]C[6a]C[5])2(BHHS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(SC[5a]OO)(H)2	127.2230	0.110	2	127.2230	0.012	2	127.2230	0.012	2	127.7403	5.193	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:2:2:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:C-2:C-2:	C[5](N[5]C[6a]C[5])2(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(CH3)(CN)2	C[5](N[5]C[6a]C[5])2(BC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(CH3)(CN)2	127.2175	0.149	2	127.2175	0.022	2	127.2175	0.022	2	127.2175	0.022	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:4:2:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:C-4:O-2:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C)	B(C[5]C[5]N[5])(CCHH)2(OS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(CCHH)2(OS)	131.2440	0.000	1	131.2440	0.000	1	131.2440	0.000	1	131.2440	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:4:4:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C)	B(C[5]C[5]N[5])(CCHH)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(CCHH)3	131.3400	0.000	1	131.3400	0.000	1	131.3400	0.000	1	129.0983	8.118	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])2(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[6a]C[5])2(BC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(CCHH)3	127.9775	2.949	2	127.9775	8.699	2	127.9775	8.699	2	129.0983	8.118	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:3:	4:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[6a]C[5])2(BC[6]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BC[6]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	127.7470	1.762	2	127.7470	3.105	2	127.7470	3.105	2	127.7470	3.105	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(BCl3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)(Cl)3	C[5](N[5]C[5]C)2(BCl3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	B(C[5]N[5]2)(Cl)3	126.9655	4.678	4	126.9655	21.883	4	127.0240	21.532	6	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(BCl3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)(Cl)3	C[5](N[5]C[5]C)2(BCl3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(Cl)3	127.1410	6.479	2	127.1410	41.971	2	127.0240	21.532	6	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	B(C[5]N[5]2)(F)3	125.3945	1.122	4	126.2285	5.607	8	126.7820	4.456	12	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(F)3	127.0625	3.158	4	126.2285	5.607	8	126.7820	4.456	12	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(F)3	127.1120	0.000	2	127.1120	0.000	2	126.7820	4.456	12	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(F)3	128.6660	0.000	2	128.6660	0.000	2	126.7820	4.456	12	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3)	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3){1|H<1>}	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3){1|C<4>}	B(C[5]N[5]2)(H)3	126.4900	0.000	1	126.4900	0.000	1	127.0701	2.995	20	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(BH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(H)3	127.4950	2.773	2	127.4950	7.691	2	127.0701	2.995	20	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(BH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(H)3	127.0981	1.868	14	127.0981	3.489	14	127.0701	2.995	20	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	B(C[5]N[5]2)(H)3	126.8500	1.224	3	126.8500	1.499	3	127.0701	2.995	20	126.9719	5.790	38	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-2:H-1:H-1:	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(NSi)(H)2	C[5](N[5]C[5]C)2(BHHN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]N[5]2)(NSi)(H)2	127.7270	1.827	2	127.7270	3.339	2	127.7270	3.339	2	127.7270	3.339	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:1:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-2:C-2:I-1:	C[5](N[5]C[5,6a]C)2(BCCI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5,6a]C)2(BCCI){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(CN)2(I)	125.9870	0.000	1	125.9870	0.000	1	125.9870	0.000	1	126.9892	0.408	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:C-2:H-1:	C[5](N[5]C[5]C)2(BCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CN)2(H)	C[5](N[5]C[5]C)2(BCCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CN)2(H)	126.9695	0.500	2	126.9695	0.250	2	126.9695	0.250	2	126.9892	0.408	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:C-2:I-1:	C[5](N[5]C[5]C)2(BCCI)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5]C)2(BCCI){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]N[5]2)(CN)2(I)	126.9460	0.000	1	126.9460	0.000	1	126.9460	0.000	1	126.9892	0.408	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S-2:S-2:H-1:	C[5](N[5]C[5]C)2(BHSS)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(SC[6a])2(H)	C[5](N[5]C[5]C)2(BHSS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(SC[6a])2(H)	127.5315	0.441	2	127.5315	0.194	2	127.5315	0.194	2	126.9892	0.408	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:2:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-2:S-2:S-2:	C[5](N[5]C[5,6a]C)2(BCSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[5,6a]C)2(BCSS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(CN)(SC)2	126.5465	3.765	2	126.5465	14.178	2	126.5465	14.178	2	126.8535	8.510	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:2:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:S-2:S-2:S-2:	C[5](N[5]C[5,6a]C)2(BS3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(SC)3	C[5](N[5]C[5,6a]C)2(BS3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(SC)3	126.8800	4.814	2	126.8800	23.174	2	126.8800	23.174	2	126.8535	8.510	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:2:2:2:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:C-2:S-2:	C[5](N[5]C[5]C)2(BCCS)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CN)2(SC)	C[5](N[5]C[5]C)2(BCCS){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]N[5]2)(CN)2(SC)	127.1340	2.202	2	127.1340	4.848	2	127.1340	4.848	2	126.8535	8.510	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5](N[5]C[5]C)2(BCHH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CSiC)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CSiC)(H)2	127.8505	2.183	2	127.8505	4.765	2	127.8505	4.765	2	127.3697	2.096	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	C[5](N[5]C[5]C)2(BC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(C[6]C[6]2)(H)2	127.7425	2.341	2	127.7425	5.481	2	127.7425	5.481	2	127.3697	2.096	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(NHN)(H)2	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(NHN)(H)2	127.3370	0.089	2	127.3370	0.008	2	126.8872	1.236	4	127.3697	2.096	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(NNO)(H)2	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(NNO)(H)2	126.4375	1.701	2	126.4375	2.892	2	126.8872	1.236	4	127.3697	2.096	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5](N[5]C[5]C)2(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BN[5]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(N[5]C[5]N[5])(C[5]N[5]2)(H)2	127.4810	1.792	2	127.4810	3.211	2	127.4810	3.211	2	127.3697	2.096	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:2:1:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:H-1:	C[5](N[5]C[5,6a]C)2(BC[5]HO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	126.2080	3.121	2	126.2080	9.742	2	126.2080	9.742	2	127.1048	4.133	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:2:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-2:H-1:	C[5](N[5]C[5]C)2(BC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	127.9880	2.765	2	127.9880	7.644	2	127.5533	2.837	4	127.1048	4.133	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:2:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-2:H-1:	C[5](N[5]C[5]C)2(BC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	127.1185	0.334	2	127.1185	0.112	2	127.5533	2.837	4	127.1048	4.133	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:2:2:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:P-3:C-2:C-2:	C[5](N[5]C[5,6a]C)2(BCCP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(PCC)(CN)2	C[5](N[5]C[5,6a]C)2(BCCP){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(PCC)(CN)2	126.6300	5.300	2	126.6300	28.095	2	126.6300	28.095	2	126.6300	28.095	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:N-3:H-1:	C[5](N[5]C[5]C)2(BHNN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(NHN)2(H)	C[5](N[5]C[5]C)2(BHNN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(NHN)2(H)	127.0265	4.900	2	127.0265	24.006	2	127.0265	24.006	2	127.0038	13.074	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)2(BC[6a]2H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]2H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	126.9925	3.713	4	126.9925	13.787	4	126.9925	13.787	4	127.0038	13.074	6	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:2:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	C[5](N[5]C[5]C)2(BC[6a]2C)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[5](N[5]C[5]C)2(BC[6a]2C){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	127.6330	2.241	4	127.6330	5.021	4	127.6330	5.021	4	127.6330	5.021	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	133.0720	0.000	1	133.0720	0.000	1	133.0720	0.000	1	128.3121	13.326	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	133.2220	0.000	1	133.2220	0.000	1	133.2220	0.000	1	128.3121	13.326	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:3:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-3:C-3:	C[5](N[5]C[5]C)2(BC[6a]CC)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[5](N[5]C[5]C)2(BC[6a]CC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	127.7335	1.411	4	127.7335	1.991	4	127.7335	1.991	4	128.3121	13.326	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:3:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]C)2(BC[6a]3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[5](N[5]C[5]C)2(BC[6a]3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	127.4890	6.918	2	127.4890	47.863	2	126.4733	17.445	4	128.3121	13.326	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:3:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3(C[5]N[5]2)	125.4575	0.588	2	125.4575	0.345	2	126.4733	17.445	4	128.3121	13.326	10	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](N[5]C[5,6a]C)2(BCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CCCH)(H)2	C[5](N[5]C[5,6a]C)2(BCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(CCCH)(H)2	126.7375	1.070	2	126.7375	1.145	2	126.7375	1.145	2	127.3261	1.291	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:F-1:F-1:	C[5](N[5]C[5]C)2(BCFF)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CCCH)(F)2	C[5](N[5]C[5]C)2(BCFF){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCCH)(F)2	127.5185	0.972	2	127.5185	0.945	2	127.5185	0.945	2	127.3261	1.291	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](N[5]C[5]C)2(BCHH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCCH)(H)2	127.4644	0.688	8	127.4644	0.473	8	127.4984	0.714	10	127.3261	1.291	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](N[5]C[5]C)2(BCHH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCHH)(H)2	127.6345	1.753	2	127.6345	3.073	2	127.4984	0.714	10	127.3261	1.291	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-4:Cl-1:H-1:	C[5](N[5]C[5]C)2(BClHN)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)(NBHH)(Cl)(H)	C[5](N[5]C[5]C)2(BClHN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	B(C[5]N[5]2)(NBHH)(Cl)(H)	126.8605	3.058	2	126.8605	9.353	2	126.8605	9.353	2	127.3261	1.291	16	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:2:2:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-2:C-2:	C[5](N[5]C[5,6a]C)2(BC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CH3)(CN)2	C[5](N[5]C[5,6a]C)2(BC3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	B(C[5]N[5]2)(CH3)(CN)2	126.4250	0.132	2	126.4250	0.017	2	126.4250	0.017	2	126.4250	0.017	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCHH)3	128.5030	3.354	4	128.5030	11.248	4	128.3261	12.853	8	128.3261	12.853	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCHH)3	132.1180	0.000	1	132.1180	0.000	1	128.3261	12.853	8	128.3261	12.853	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCHH)3	128.0300	5.127	2	128.0300	26.281	2	128.3261	12.853	8	128.3261	12.853	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CCHH)3	124.4190	0.000	1	124.4190	0.000	1	128.3261	12.853	8	128.3261	12.853	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	4:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]C)2(BC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[5]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	127.7065	0.787	2	127.7065	0.619	2	127.7065	0.619	2	127.5143	0.572	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	4:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]C)2(BC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	127.6610	1.681	2	127.6610	2.827	2	127.4502	0.657	6	127.5143	0.572	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	4:3:1:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]C)2(BC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	127.3448	0.330	4	127.3448	0.109	4	127.4502	0.657	6	127.5143	0.572	8	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:3:4:	4:3:3:1:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	B-4:C[6a]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)2(BC[6a]BH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]BH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	127.7425	0.375	4	127.7425	0.140	4	127.7425	0.140	4	127.7425	0.140	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:2:	3:1:1:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C-4:N[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	B(C[5]C[5]N[5])(H)3	126.0335	1.433	2	126.0335	2.054	2	125.8957	1.084	3	125.8957	1.084	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:2:	3:1:1:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C-4:N[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5])	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	B(C[5]C[5]N[5])(H)3	125.6200	0.000	1	125.6200	0.000	1	125.8957	1.084	3	125.8957	1.084	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:F-1:F-1:F-1:	C[5](N[5]C[6a]C[5])2(BF3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(F)3	C[5](N[5]C[6a]C[5])2(BF3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(F)3	124.9915	0.620	2	124.9915	0.385	2	124.9915	0.385	2	124.9915	0.385	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:B-3:Br-1:Br-1:	C[5](N[5]C[6a]C[5])2(BBr2B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(BC[6a]2)(Br)2	C[5](N[5]C[6a]C[5])2(BBr2B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(BC[6a]2)(Br)2	125.7885	4.569	2	125.7885	20.872	2	125.7885	20.872	2	125.7580	11.187	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:3:	3:3:1:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:B-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(BCl2B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(BC[6a]2)(Cl)2	125.7275	3.562	2	125.7275	12.686	2	125.7275	12.686	2	125.7580	11.187	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:3:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<3>,2|H<1>,3|C<4>}	B(C[5]N[5]2)(CCHH)3	129.1510	0.000	1	129.1510	0.000	1	129.1510	0.000	1	129.1510	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	3:4:3:	4:3:3:1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	B-4:B[5a]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])2(BB[5a]BH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BB[5a]BH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	126.1215	4.827	2	126.1215	23.304	2	126.1215	23.304	2	126.1215	23.304	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	4:3:3:	3:1:1:1:	N[5]-3:N[5]-3:B-4:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[5]C[6])2(BH3)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])2(BH3){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	B(C[5]N[5]2)(H)3	127.5015	1.644	2	127.5015	2.703	2	127.5015	2.703	2	127.5015	2.703	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	4:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){2|Ir<7>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]B){1|C<3>,1|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	136.5710	0.000	1	136.5710	0.000	1	135.4370	2.572	2	135.4370	2.572	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	4:3:3:	3:3:3:3:	N[5]-3:C[5]-3:B-4:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	N[5](C[6]C[6]2Pd)(C[5]N[5]Pd)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){1|Pd<6>,1|C<4>,2|C<3>}	N[5](C[6]C[6]2Pd)(C[5]N[5]Pd)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	134.3030	0.000	1	134.3030	0.000	1	135.4370	2.572	2	135.4370	2.572	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:4:	4:3:4:	3:4:4:4:	N[5]-3:N[5]-3:B-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3)	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	B(C[5]N[5]2)(CCHH)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3){2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	B(C[5]N[5]2)(CCHH)3	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:3:3:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B(C[5]C[5]N[5])(Cl)3	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3){2|Si<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B(C[5]C[5]N[5])(Cl)3	130.0660	0.000	1	130.0660	0.000	1	130.0660	0.000	1	130.8395	1.197	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:3:3:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-3:I-1:I-1:I-1:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3)	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B)	B(C[5]C[5]N[5])(I)3	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3){1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]C[5]N[5])(I)3	131.6130	0.000	1	131.6130	0.000	1	131.6130	0.000	1	130.8395	1.197	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:3:3:	3:3:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-3:B-3:Br-1:Br-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B(C[5]C[5]N[5])(BBr2)(Br)2	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B){2|Si<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B(C[5]C[5]N[5])(BBr2)(Br)2	131.7100	0.000	1	131.7100	0.000	1	131.7100	0.000	1	131.7100	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Br-1:Br-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(Br)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(Br)2(H)	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	125.3697	9.964	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(Cl)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(Cl)3	127.0800	0.000	1	127.0800	0.000	1	127.0800	0.000	1	125.3697	9.964	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:1:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(H)3	127.3020	0.000	1	127.3020	0.000	1	127.3020	0.000	1	125.3697	9.964	3	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:2:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O-2:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(OS)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(OS)(H)2	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:3:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:Br-1:Br-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	128.7240	0.000	1	128.7240	0.000	1	128.7240	0.000	1	129.3505	0.785	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:3:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(NSi2)(Cl)2	129.9770	0.000	1	129.9770	0.000	1	129.9770	0.000	1	129.3505	0.785	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:3:2:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	128.1420	0.000	1	128.1420	0.000	1	128.1420	0.000	1	128.1420	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:3:4:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:4:	3:4:3:	3:4:1:1:	N[5]-3:C[5]-4:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(CCHH)(H)2	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:2:	4:3:4:	3:3:3:3:	B-4:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:C-3:	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	128.6170	0.225	2	128.6170	0.051	2	128.6170	0.051	2	128.4100	0.153	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:2:	4:3:4:	3:3:3:3:	B-4:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	128.2030	0.486	2	128.2030	0.237	2	128.2030	0.237	2	128.4100	0.153	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:2:	4:3:4:	3:3:3:4:	B-4:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	129.6475	0.562	2	129.6475	0.316	2	129.6475	0.316	2	129.6475	0.316	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:3:	3:3:4:	3:3:1:1:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[5](BC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	127.4715	3.318	2	127.4715	11.012	2	127.4960	3.815	4	127.4960	3.815	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:3:	3:3:4:	3:3:1:1:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[5](BC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	127.5205	0.655	2	127.5205	0.430	2	127.4960	3.815	4	127.4960	3.815	4	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:3:	3:3:4:	6:3:1:1:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5x3,5x5,20x6]-6:C[5]-3:H-1:H-1:	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(H)2	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(H)2	127.4300	0.000	1	127.4300	0.000	1	127.4300	0.000	1	127.4300	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:3:	3:3:4:	6:3:2:1:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5x3,5x5,20x6]-6:C[5]-3:H-2:H-1:	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	127.1645	3.548	2	127.1645	12.585	2	127.1645	12.585	2	127.1645	12.585	2	127.8231	8.374	266	127.8352	8.306	270
818	542	610	0:SP2_SP2_SP3	C[5]	N[5]	B	4:3:4:	3:4:3:	3:1:1:1:	C[5]-4:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3){2|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|H<1>,3|C<3>,3|C<4>}	B(C[5]C[5]N[5])(F)3	126.2890	0.000	1	126.2890	0.000	1	126.2890	0.000	1	126.2890	0.000	1	127.8231	8.374	266	127.8352	8.306	270
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6,6]	3:3:3:	3:3:3:	4:4:3:	N[5]-3:B[6,6]-3:N[5]-3:	C[5]-3:B[6,6]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C){4|H<1>,6|C<4>}	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H){3|H<1>,7|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	119.0575	11.978	2	119.0575	143.465	2	119.0575	143.465	2	119.0575	143.465	2	127.0198	103.377	6	127.0033	44.573	15
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6,6]	3:3:3:	3:3:4:	4:4:3:	B[6,6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5](B[6,6]C[6,6]2)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)	C[5](B[6,6]C[6,6]2)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2){2|C<3>,4|C<4>,8|H<1>}	126.9490	1.517	2	126.9490	2.303	2	126.9490	2.303	2	131.0010	61.075	4	127.0198	103.377	6	127.0033	44.573	15
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6,6]	3:3:3:	3:3:4:	4:4:3:	N[5]-3:B[6,6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C){4|H<1>,6|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,2|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	135.0530	10.735	2	135.0530	115.247	2	135.0530	115.247	2	131.0010	61.075	4	127.0198	103.377	6	127.0033	44.573	15
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(B[6]C[6,6a]2)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(B[6]C[6,6a]2){2|H<1>,8|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2){1|B<3>,2|H<1>,8|C<3>}	127.8625	1.901	4	127.8625	3.614	4	127.8625	3.614	4	127.8625	3.614	4	126.9923	13.392	9	127.0033	44.573	15
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6]	3:3:3:	3:3:4:	3:3:3:	B[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2{1|N<2>,2|C<3>,3|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,4|C<4>,6|C<3>}	126.2560	6.568	2	126.0493	29.875	4	126.0493	29.875	4	126.0493	29.875	4	126.9923	13.392	9	127.0033	44.573	15
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6]	3:3:3:	3:3:4:	3:3:3:	B[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2{1|N<3>,2|C<3>,3|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,1|H<1>,4|C<4>,6|C<3>}	125.8425	6.806	2	126.0493	29.875	4	126.0493	29.875	4	126.0493	29.875	4	126.9923	13.392	9	127.0033	44.573	15
818	542	618	0:SP2_SP2_SP2	C[5]	N[5]	B[6]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:N[5]-3:B[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2)	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC)	B[6](C[5]C[5,6]N[5])(C[6]C[6]C)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2){4|C<3>,6|C<4>,6|H<1>}	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	B[6](C[5]C[5,6]N[5])(C[6]C[6]C)2{1|C<3>,7|C<4>}	127.2840	0.000	1	127.2840	0.000	1	127.2840	0.000	1	127.2840	0.000	1	126.9923	13.392	9	127.0033	44.573	15
818	542	622	0:SP2_SP2_SP2	C[5,6]	N[5]	O[6]	3:2:3:	3:4:4:	4:3:	N[5,6]-3:O[6]-2:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	B[5,5,6]-4:C[5,6]-3:	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	O[6](B[5,5,6]N[5,5]N[5,6]O[5])(C[5,6]N[5,6]N[5])	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C){1|C<4>,1|O<2>,2|N<4>,5|H<1>}	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH){1|C<4>,1|H<1>,2|B<4>}	O[6](B[5,5,6]N[5,5]N[5,6]O[5])(C[5,6]N[5,6]N[5]){2|B<4>,8|C<4>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	121.7365	0.091	2	121.7365	0.091	2
818	542	622	0:SP2_SP2_SP2	C[5,6]	N[5]	O[6]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:N[5]-3:O[6]-2:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6])	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	121.7365	0.091	2	121.7365	0.091	2
818	542	622	6:SP2_SP2_SP2	C[5,6]	N[5,6]	O[6]	3:2:2:	3:3:3:	5:3:	N[5,6]-3:O[5]-2:O[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	Si[5,6]-5:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,2|N<3>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<5>,1|H<1>,3|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5]){9|C<3>}	126.8610	0.068	2	126.8610	0.005	2	126.8610	0.005	2	126.8610	0.005	2	124.9998	13.431	5	124.9998	13.431	5
818	542	622	6:SP2_SP2_SP2	C[5,6]	N[5,6]	O[6]	3:2:2:	3:3:3:	6:3:	N[5,6]-3:O[5]-2:O[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	Si[5,6]-6:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,3|C<3>,3|N<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<6>,1|H<1>,3|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	128.4750	0.000	1	128.4750	0.000	1	128.4750	0.000	1	128.4750	0.000	1	124.9998	13.431	5	124.9998	13.431	5
818	542	622	6:SP2_SP2_SP2	C[5,6]	N[5,6]	O[6]	3:2:3:	3:4:4:	4:3:	N[5,6]-3:O[6]-2:N[5]-3:	C[5,6]-3:B[6]-4:C[5]-4:	B[5,5,6]-4:C[5,6]-3:	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C)	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)	O[6](B[5,5,6]N[5,5]N[5,6]O[5])(C[5,6]N[5,6]N[5])	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C){1|C<4>,1|O<2>,2|N<4>,5|H<1>}	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH){1|B<4>,2|H<1>,3|C<4>}	O[6](B[5,5,6]N[5,5]N[5,6]O[5])(C[5,6]N[5,6]N[5]){2|B<4>,8|C<4>}	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	124.9998	13.431	5	124.9998	13.431	5
818	542	622	6:SP2_SP2_SP2	C[5,6]	N[5,6]	O[6]	3:3:2:	3:3:3:	3:4:	N[5,6]-3:C[5]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S)	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6]){1|S<1>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S){1|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	124.9998	13.431	5	124.9998	13.431	5
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,5|C<3>}	126.2600	0.000	1	126.2600	0.000	1	126.2600	0.000	1	126.2600	0.000	1	126.2600	0.000	1	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	127.9108	5.805	5	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	128.1140	0.000	1	128.9582	0.425	4	128.9582	0.425	4	127.9108	5.805	5	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	129.2397	0.403	3	128.9582	0.425	4	128.9582	0.425	4	127.9108	5.805	5	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	128.9520	0.000	1	128.9520	0.000	1	128.4250	0.555	2	129.2773	0.511	7	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	127.8980	0.000	1	127.8980	0.000	1	128.4250	0.555	2	129.2773	0.511	7	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	129.5440	0.000	1	129.7355	0.067	4	129.7355	0.067	4	129.2773	0.511	7	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	129.8455	0.374	2	129.7355	0.067	4	129.7355	0.067	4	129.2773	0.511	7	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,8|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	129.7070	0.000	1	129.7355	0.067	4	129.7355	0.067	4	129.2773	0.511	7	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	129.1490	0.000	1	129.1490	0.000	1	129.1490	0.000	1	129.2773	0.511	7	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3){1|B<4>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	129.0520	0.000	1	129.0520	0.000	1	129.0520	0.000	1	129.1200	0.009	2	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5]){5|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	129.1880	0.000	1	129.1880	0.000	1	129.1880	0.000	1	129.1200	0.009	2	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6,6a]	3:4:3:	3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	128.6230	2.598	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cd<6>,1|S<2>,2|H<1>,3|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5]){1|Cd<6>,1|C<4>,2|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.4040	0.000	1	126.2427	0.032	3	126.2427	0.032	3	126.2427	0.032	3	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<4>,1|S<2>,2|H<1>,3|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.0510	0.000	1	126.2427	0.032	3	126.2427	0.032	3	126.2427	0.032	3	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ni<4>,1|S<2>,2|H<1>,3|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[6a]N[5])(N[5]C[5]){1|Ni<4>,1|C<4>,2|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.2730	0.000	1	126.2427	0.032	3	126.2427	0.032	3	126.2427	0.032	3	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5])	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H){1|S<2>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	121.0830	13.478	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	121.0830	13.478	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,5]-3:N[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])2(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	C[6a](C[5]N[5,5]2)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	C[6a](C[5]N[5,5]2)(C[6a]C[6a]H)2{2|C<4>,2|O<2>,3|C<3>}	127.5335	0.086	2	127.5335	0.007	2	127.5335	0.007	2	127.5335	0.007	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,7|H<1>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	123.0220	0.124	2	123.0220	0.015	2	123.0220	0.015	2	123.0220	0.015	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[6a]C[5])	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|N<3>,1|O<3>,3|C<3>,3|H<1>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[6a]C[5]){1|Fe<6>,2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	120.3785	10.474	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2){1|I<1>,1|N<3>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	120.3785	10.474	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	5:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	Ga[5,5]-5:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5])	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<3>,4|C<3>}	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|Ga<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6a]	3:3:3:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	Ga[4x5]-6:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C[6a])(N[5]C[5])	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|N<3>,2|S<2>,3|H<1>,5|C<3>}	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|Ga<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.6090	0.057	2	123.6090	0.003	2	123.6090	0.003	2	123.6090	0.003	2	123.5491	9.006	15	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:2:	3:4:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5])	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,3|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|S<4>,5|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]Cu)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]Cu){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Cu<3>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<3>,2|H<1>,4|C<3>}	126.3255	0.675	2	126.3255	0.456	2	126.3255	0.456	2	126.3255	0.456	2	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Fe)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Fe){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Fe<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|Fe<6>,1|C<4>,2|H<1>,3|C<3>}	113.0460	0.000	1	113.0460	0.000	1	113.8300	1.229	2	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Ru)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Ru){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|Ru<6>,2|H<1>,4|C<3>}	114.6140	0.000	1	114.6140	0.000	1	113.8300	1.229	2	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Co)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Co){1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Co<6>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<6>,2|H<1>,4|C<3>}	127.6710	0.259	2	127.6710	0.067	2	124.8400	6.238	9	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Cu)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Cu){3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Cu<5>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Cu<5>,2|H<1>,4|C<3>}	124.5140	0.328	2	124.5140	0.108	2	124.8400	6.238	9	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Fe)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Fe){1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Fe<6>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,2|Cl<1>,4|C<3>}	127.4410	0.000	1	127.4410	0.000	1	124.8400	6.238	9	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,4|C<3>}	120.5800	0.000	1	120.5800	0.000	1	124.8400	6.238	9	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Re)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Re){3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Re<6>,2|H<1>,4|C<3>}	121.9320	0.000	1	121.9320	0.000	1	124.8400	6.238	9	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Ru)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Ru){3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Ru<9>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Ru<9>,2|H<1>,4|C<3>}	124.6185	0.135	2	124.6185	0.018	2	124.8400	6.238	9	122.8382	24.949	11	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6a](C[5]C[5,6a]N[5,6])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]N[5,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	123.7806	3.032	7	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|F<1>,2|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	123.0257	0.530	3	123.0257	0.281	3	123.0257	0.281	3	123.7806	3.032	7	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H)	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|S<2>,2|C<3>,3|H<1>}	123.4000	0.044	2	123.4000	0.002	2	123.4000	0.002	2	123.7806	3.032	7	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	127.6440	0.000	1	127.6440	0.000	1	127.6440	0.000	1	123.7806	3.032	7	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5])	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5]){10|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	122.2665	17.423	2	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5])	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	119.3150	0.000	1	119.3150	0.000	1	119.3150	0.000	1	122.2665	17.423	2	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:2:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6])	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	126.0880	0.000	1	126.0880	0.000	1	126.0880	0.000	1	126.0880	0.000	1	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5])	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|C<3>,2|N<3>,4|H<1>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5]){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	123.5230	1.148	2	123.5230	1.319	2	123.5230	1.319	2	124.5598	1.439	5	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	125.1620	0.000	1	125.1620	0.000	1	125.1620	0.000	1	124.5598	1.439	5	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.2955	0.917	2	125.2955	0.841	2	125.2955	0.841	2	124.5598	1.439	5	123.6038	11.973	29	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:O[5]-2:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]H)	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]H){2|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)(H){2|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|N<3>,3|H<1>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:3:	C[6a]-3:O[5]-2:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3){2|C<3>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|C<4>,2|H<1>}	124.3560	0.000	1	124.3560	0.000	1	124.3560	0.000	1	124.3560	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:2:3:	4:3:3:	3:3:3:	N[5]-3:N[5]-2:C[6a]-3:	C[5,5,6,6]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5,6,6]C)(N[5]C[5,5,6,6])(C[6a]C[6a]2)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]N[5])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5,6,6]C)(N[5]C[5,5,6,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]N[5])(CC[6a]O){8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:2:3:	6:3:1:	3:3:3:	N[5]-3:O[5]-2:C[6a]-3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){1|C<5>,2|C<3>,2|H<1>,4|B<6>}	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|B<5>,1|B<6>,1|C<3>,3|H<1>}	125.0840	0.000	1	125.6372	0.342	4	125.6372	0.342	4	125.6372	0.342	4	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:2:3:	6:3:1:	3:3:3:	N[5]-3:O[5]-2:C[6a]-3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|B<6>,3|H<1>}	125.8217	0.556	3	125.6372	0.342	4	125.6372	0.342	4	125.6372	0.342	4	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]N[5])(H){1|Re<6>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	125.8938	0.859	5	125.8938	0.738	5	125.8938	0.738	5	126.1032	0.854	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:1:	3:3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5])(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5])(H){3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	127.1500	0.000	1	127.1500	0.000	1	127.1500	0.000	1	126.1032	0.854	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7200	0.000	1	121.7200	0.000	1	121.7200	0.000	1	121.7200	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|P<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH){1|P<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	125.1972	5.900	5	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	125.1972	5.900	5	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.0180	0.734	2	126.0180	0.539	2	126.0180	0.539	2	125.1972	5.900	5	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:4:	3:3:3:	C[6a]-3:N[5]-3:P[5]-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5])	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3){3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	125.1972	5.900	5	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:2:6:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:S[5]-2:As-6:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]S[5]As)(N[5]C[5])	N[5](C[5]C[6a]N[5])(S[5]C[5])(AsF5)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]S[5]As)(N[5]C[5]){2|F<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(S[5]C[5])(AsF5){3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|As<6>,1|S<2>,2|C<3>,2|F<1>}	123.9270	0.000	1	123.9270	0.000	1	123.9270	0.000	1	123.9270	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	119.7077	0.045	3	119.7077	0.002	3	119.7077	0.002	3	119.7077	0.002	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:2:	C[6a]-3:N[5]-3:P[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	119.6375	1.047	2	119.6375	1.097	2	119.6375	1.097	2	119.6375	1.097	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	121.0670	0.000	1	121.1568	0.797	4	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	120.4960	0.000	1	121.1568	0.797	4	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	121.5320	1.290	2	121.1568	0.797	4	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|Co<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Co<6>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.5680	0.977	2	122.5680	0.955	2	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	121.0190	0.000	1	123.2087	3.671	3	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	124.0290	0.000	1	123.2087	3.671	3	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	124.5780	0.000	1	123.2087	3.671	3	122.1543	2.293	9	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Co<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.4553	0.414	3	121.4553	0.171	3	122.7824	3.480	5	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]Re)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Re)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	124.3430	0.000	1	124.7730	0.370	2	122.7824	3.480	5	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]Re)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Re)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	125.2030	0.000	1	124.7730	0.370	2	122.7824	3.480	5	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H){3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	131.6980	0.124	3	131.0485	0.867	6	131.0485	0.867	6	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H){3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	130.3990	0.941	3	131.0485	0.867	6	131.0485	0.867	6	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:P[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	N[5](C[5]C[6a]S[5])(C[5]C[5]H)(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,4|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.0570	0.000	1	124.0570	0.000	1	124.0570	0.000	1	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5,6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5,6a]){2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	123.6770	1.072	2	123.6770	1.149	2	125.4754	3.903	7	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	128.0250	0.000	2	128.0250	0.000	2	125.4754	3.903	7	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	123.8140	0.000	1	123.8140	0.000	1	125.4754	3.903	7	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	125.5550	0.170	2	125.5550	0.029	2	125.4754	3.903	7	124.8416	14.175	30	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Fe<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NC){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.0602	0.202	6	129.0602	0.041	6	128.4074	1.499	8	128.4074	1.499	8	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]N)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]N)(NN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.4490	0.250	2	126.4490	0.063	2	128.4074	1.499	8	128.4074	1.499	8	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(NC){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	125.2635	0.863	2	125.2635	0.745	2	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.0145	0.131	2	124.0145	0.017	2	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.3735	1.319	4	123.3735	1.739	4	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	126.0240	0.074	2	127.0026	0.561	14	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	127.0700	1.015	5	127.0026	0.561	14	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	127.5125	0.161	2	127.0026	0.561	14	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	127.1127	0.534	3	127.0026	0.561	14	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	127.1375	0.197	2	127.0026	0.561	14	125.9130	3.035	22	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	128.1645	0.880	2	128.3043	0.446	3	128.3043	0.446	3	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	128.5840	0.000	1	128.3043	0.446	3	128.3043	0.446	3	126.2000	3.322	25	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){2|H<1>,5|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	126.9790	0.000	1	126.9790	0.000	1	126.8374	0.419	8	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Co<6>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	125.9390	0.000	1	126.6132	0.540	5	126.8374	0.419	8	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	126.7818	0.728	4	126.6132	0.540	5	126.8374	0.419	8	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	127.3270	0.160	2	127.3270	0.026	2	126.8374	0.419	8	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Cd<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.6660	0.682	2	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.0261	0.592	15	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	125.6060	0.000	1	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Fe<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.1206	0.470	68	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Hg<5>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Hg<5>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	124.6980	0.000	1	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Mn<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Mn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	125.8520	0.649	2	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Ni<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Ni<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.7190	0.000	1	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Zn<5>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Zn<5>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.8970	0.000	1	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Zn<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Zn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	127.3660	0.000	1	126.1187	0.289	92	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	127.2420	0.000	1	127.2420	0.000	1	126.1307	0.299	93	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(N[5a]C[5a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]N[5a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(N[5a]C[5a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	125.4265	1.490	2	125.4265	2.220	2	125.4265	2.220	2	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	126.6845	0.462	2	126.6845	0.213	2	126.6845	0.213	2	126.1817	0.368	105	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.6990	0.000	1	126.6990	0.000	1	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	127.9965	1.056	2	127.9965	1.115	2	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|S<1>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){2|N<3>,3|C<3>}	126.7470	0.000	1	126.7470	0.000	1	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.6033	0.630	3	127.3120	1.445	7	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	128.1300	0.000	1	127.3120	1.445	7	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	127.0130	1.375	2	127.3120	1.445	7	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Sn<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|Sn<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	129.2180	0.000	1	127.3120	1.445	7	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6a]N[5])2(NHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Zn<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])2(NHH){1|Zn<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	126.7193	1.192	4	126.7193	1.421	4	127.1667	1.198	15	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	122.5125	0.131	2	122.5125	0.017	2	125.0772	2.812	9	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	127.6770	0.000	1	127.6770	0.000	1	125.0772	2.812	9	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<6>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2){1|Ir<6>,1|C<4>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	125.4988	0.547	6	125.4988	0.299	6	125.0772	2.812	9	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	124.7630	0.000	1	124.7630	0.000	1	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	125.8645	0.274	2	125.8645	0.075	2	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	125.3870	0.000	1	127.9825	3.067	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	129.6575	0.878	2	127.9825	3.067	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	126.6500	0.000	1	127.9825	3.067	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	128.6430	0.000	1	127.9825	3.067	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	127.9000	0.000	1	127.9825	3.067	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Re)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Re<5>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Re){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	126.0760	1.080	4	126.0760	1.166	4	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	125.8445	1.278	2	126.5213	2.191	3	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<5>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	127.8750	0.000	1	126.5213	2.191	3	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<5>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	125.0060	0.000	1	126.7780	6.280	2	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<6>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	128.5500	0.000	1	126.7780	6.280	2	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cl<1>,1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	124.4167	1.685	3	124.4167	2.838	3	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	128.0640	0.795	2	127.8507	0.452	3	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	127.4240	0.000	1	127.8507	0.452	3	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|O<2>,3|C<3>}	125.5600	0.000	1	126.3528	2.377	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|O<2>,3|C<3>}	128.4040	0.000	1	126.3528	2.377	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	125.6347	1.533	3	126.3528	2.377	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	127.2490	0.000	1	126.3528	2.377	6	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Tc)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Tc<5>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Tc){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	127.3780	0.000	1	127.3780	0.000	1	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]S){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,3|C<3>}	123.5400	0.000	1	123.5400	0.000	1	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]S[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]S[5]){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|S<2>,2|H<1>,3|C<3>}	123.3680	0.000	1	123.3680	0.000	1	126.3944	3.235	33	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	132.6960	0.000	1	132.6960	0.000	1	132.5705	0.032	2	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]Rh)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]Rh){2|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	132.4450	0.000	1	132.4450	0.000	1	132.5705	0.032	2	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	127.0955	1.995	2	127.0955	3.979	2	127.6813	3.019	3	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]Rh)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]Rh){2|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	128.8530	0.000	1	128.8530	0.000	1	127.6813	3.019	3	126.5686	4.377	64	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.6980	0.618	4	129.6980	0.382	4	128.0301	1.706	12	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.1620	0.000	1	127.1620	0.000	1	128.0301	1.706	12	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.0267	0.280	4	127.0267	0.079	4	128.0301	1.706	12	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.8660	0.000	1	127.8660	0.000	1	128.0301	1.706	12	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.4710	0.000	1	127.4710	0.000	1	128.0301	1.706	12	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5])	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5]){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.9630	0.000	1	126.9630	0.000	1	128.0301	1.706	12	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	127.4431	6.043	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6]){1|B<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3){1|B<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.9740	0.000	1	123.9740	0.000	1	123.9740	0.000	1	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	125.9670	0.000	1	125.9670	0.000	1	125.9670	0.000	1	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	123.9739	0.821	7	123.9739	0.673	7	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.7930	0.000	1	125.7930	0.000	1	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5120	0.000	1	123.5120	0.000	1	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	126.9240	0.000	1	126.3735	0.606	2	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.8230	0.000	1	126.3735	0.606	2	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.7930	0.000	1	127.7930	0.000	1	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.6070	0.000	1	124.6070	0.000	1	124.7899	2.168	13	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:B-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]Ni)(BN[5]2H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5]){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Ni)(BN[5]2H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	125.7610	0.000	1	125.7610	0.000	1	125.7610	0.000	1	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH){3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	131.6990	0.000	1	131.6990	0.000	1	131.6990	0.000	1	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]){1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3){1|S<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	127.4860	0.390	2	127.4860	0.152	2	127.4860	0.152	2	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	123.2390	0.000	1	123.2390	0.000	1	123.0373	1.113	7	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	122.4557	0.452	3	122.4557	0.204	3	123.0373	1.113	7	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){4|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.1610	0.000	1	124.1610	0.000	1	123.0373	1.113	7	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2470	1.966	2	123.2470	3.864	2	123.0373	1.113	7	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	123.4140	0.000	1	123.4140	0.000	1	123.4140	0.000	1	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	128.3920	0.000	1	128.3920	0.000	1	128.3920	0.000	1	124.9182	4.964	28	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	122.0517	2.432	4	121.6686	5.171	5	121.6686	5.171	5	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.1360	0.000	1	121.6686	5.171	5	121.6686	5.171	5	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.5603	0.886	3	122.9056	0.806	5	122.9056	0.806	5	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.8070	0.000	1	122.9056	0.806	5	122.9056	0.806	5	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.0400	0.000	1	122.9056	0.806	5	122.9056	0.806	5	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-1:	C[6a]-3:N[6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|C<4>,3|O<1>}	123.5600	0.000	2	123.5600	0.000	2	123.5600	0.000	2	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5])	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	128.2690	0.000	1	128.2690	0.000	1	128.2690	0.000	1	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)(H){2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	123.9470	0.925	2	123.9470	0.855	2	123.9470	0.855	2	123.0769	4.555	15	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCr){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	128.9950	0.327	3	128.9950	0.107	3	128.9950	0.107	3	128.9950	0.107	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:B-4:N[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5])	N[5](C[5]C[6a]N[5])(BN[5a]N[5]H)(N[5]C[5]Ru)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(BN[5a]N[5]H)(N[5]C[5]Ru){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	124.9440	0.000	1	124.9440	0.000	1	124.9440	0.000	1	124.9440	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5,5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,3|C<4>}	121.7550	0.000	1	121.7550	0.000	1	121.7550	0.000	1	123.1715	4.013	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:S-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	124.5880	0.000	1	124.5880	0.000	1	124.5880	0.000	1	123.1715	4.013	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5])	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	123.4020	0.000	1	123.4020	0.000	1	123.1160	0.872	4	123.0146	0.651	7	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,1|S<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.4115	0.530	2	123.0207	1.254	3	123.1160	0.872	4	123.0146	0.651	7	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.2390	0.000	1	123.0207	1.254	3	123.1160	0.872	4	123.0146	0.651	7	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	123.5470	0.000	1	123.5470	0.000	1	122.8793	0.596	3	123.0146	0.651	7	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0340	0.000	1	122.0340	0.000	1	122.8793	0.596	3	123.0146	0.651	7	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0570	0.000	1	123.0570	0.000	1	122.8793	0.596	3	123.0146	0.651	7	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5])	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5]){3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Cd)(N[5]N[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Cd)(N[5]N[5]H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Cd<5>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Cd<5>,1|N<2>,2|C<3>,3|H<1>}	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[6,6a]-3:C[5]-3:N[6a]-2:	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a])	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O){1|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a]){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3600	0.670	3	120.3600	0.450	3	120.5962	0.523	4	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.3050	0.000	1	121.3050	0.000	1	120.5962	0.523	4	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	124.8140	0.853	4	124.8140	0.727	4	124.8140	0.727	4	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O)	N[5](C[5]C[6a]C[5])(N[5]O[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]O[5])(O){1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	126.3200	0.000	1	126.3200	0.000	1	126.3200	0.000	1	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|C<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	122.9420	0.000	1	122.9420	0.000	1	122.7970	0.042	2	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	122.6520	0.000	1	122.6520	0.000	1	122.7970	0.042	2	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(N[5]N[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(N[5]N[5]H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Cd<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cd<6>,1|N<2>,2|C<3>,3|H<1>}	122.1870	0.000	1	122.1870	0.000	1	124.7432	2.544	5	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Mo<6>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<2>,2|C<3>,3|H<1>}	126.4120	0.000	1	126.4120	0.000	1	124.7432	2.544	5	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Zn<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<2>,2|C<3>,3|H<1>}	125.3365	0.255	2	125.0390	0.298	3	124.7432	2.544	5	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Zn<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<6>,1|N<2>,2|C<3>,3|H<1>}	124.4440	0.000	1	125.0390	0.298	3	124.7432	2.544	5	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-2:D-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(D)	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(D){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2{1|D<1>,2|C<3>,2|H<1>,2|N<2>}	127.7340	0.000	1	127.7340	0.000	1	127.7340	0.000	1	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H)	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	127.7630	0.000	1	127.7630	0.000	1	127.7630	0.000	1	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5]C[6a]N[5])(O[5]N[5])(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(O[5]N[5])(O){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.9560	0.000	1	122.9560	0.000	1	122.9560	0.000	1	123.9855	5.733	19	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:N-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N)	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	122.3340	0.000	1	122.3340	0.000	1	122.3340	0.000	1	122.3340	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.0870	0.000	1	123.0870	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.9970	0.614	2	122.9970	0.377	2	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.9650	0.000	1	123.6890	5.944	2	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	125.4130	0.000	1	123.6890	5.944	2	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.4620	1.013	2	124.7443	0.752	3	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|C<3>,1|N<2>,1|N<3>,3|C<4>}	125.3090	0.000	1	124.7443	0.752	3	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	124.4720	0.000	1	124.4720	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	125.6742	1.165	5	126.4316	2.512	11	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	127.4827	2.015	4	126.4316	2.512	11	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	126.2230	0.356	2	126.4316	2.512	11	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	124.5705	1.591	6	124.4612	1.453	10	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	124.4745	0.129	2	124.4612	1.453	10	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|I<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	124.1200	0.317	2	124.4612	1.453	10	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.8490	0.000	1	119.9772	5.137	4	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	117.3420	0.000	1	119.9772	5.137	4	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.8590	0.438	2	119.9772	5.137	4	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Mo<5>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|C<3>,1|N<2>,1|N<3>,3|C<4>}	127.7150	0.000	1	127.7150	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	117.7350	0.000	1	117.7350	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.8580	0.000	1	123.8038	0.398	6	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.7690	0.290	2	123.8038	0.398	6	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.4350	0.677	2	123.8038	0.398	6	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.5570	0.000	1	123.8038	0.398	6	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Os)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Os)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Os<9>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Os<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.3550	0.000	1	119.3550	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){2|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.5580	0.000	1	121.5580	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.7870	0.158	2	124.2097	0.697	29	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.4786	0.816	17	124.2097	0.697	29	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<2>,1|N<3>,3|C<3>}	123.9527	0.656	3	124.2097	0.697	29	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.7877	0.908	7	124.2097	0.697	29	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	125.1320	0.000	1	125.1320	0.000	1	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<6>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.0400	0.492	2	124.0337	0.121	3	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<8>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.0210	0.000	1	124.0337	0.121	3	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	127.5060	0.000	1	121.9729	4.447	13	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.2802	1.415	6	121.9729	4.447	13	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<6>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.0220	0.000	1	121.9729	4.447	13	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.8878	1.493	5	121.9729	4.447	13	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	137.0650	0.000	1	135.3216	1.319	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	134.5757	0.403	3	135.3216	1.319	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	135.8160	0.000	1	135.3216	1.319	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	124.6660	0.000	1	123.8620	1.073	3	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	123.4600	1.085	2	123.8620	1.073	3	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.9120	0.000	1	123.7298	0.170	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.0910	0.000	1	123.7298	0.170	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.5520	0.000	1	123.7298	0.170	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.0470	0.065	2	123.7298	0.170	5	124.3828	10.240	103	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3){2|Re<6>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	127.9140	0.000	1	127.9140	0.000	1	125.2015	3.465	4	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	124.2973	0.540	3	124.2973	0.292	3	125.2015	3.465	4	124.4134	9.976	107	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	2:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6a]-2:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|In<5>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2){1|In<5>,2|H<1>,4|C<3>}	124.7215	0.146	2	124.7215	0.021	2	124.7215	0.021	2	124.7215	0.021	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	122.3150	0.000	1	122.3150	0.000	1	125.3152	50.654	5	125.3152	50.654	5	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){3|C<3>,4|H<1>}	126.0652	7.987	4	126.0652	63.788	4	125.3152	50.654	5	125.3152	50.654	5	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	120.2200	0.000	1	119.8180	0.323	2	119.8180	0.323	2	120.2803	0.803	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Os<6>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	119.4160	0.000	1	119.8180	0.323	2	119.8180	0.323	2	120.2803	0.803	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	120.2803	0.803	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	118.8600	0.000	1	120.1575	3.367	2	120.1575	3.367	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.4550	0.000	1	120.1575	3.367	2	120.1575	3.367	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H){1|O<2>,3|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	123.8840	0.000	1	123.8840	0.000	1	123.8840	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Cu<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.1783	1.437	3	121.2008	1.262	30	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Zn<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	122.0565	0.709	2	121.2008	1.262	30	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	119.9120	1.365	2	121.2008	1.262	30	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.3623	1.978	4	121.2008	1.262	30	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.4265	0.737	19	121.2008	1.262	30	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Co<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.1850	1.198	4	121.1480	0.755	16	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<6>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<6>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.7750	0.346	2	121.1480	0.755	16	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.0078	0.810	10	121.1480	0.755	16	121.1825	1.065	46	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H){1|N<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	122.0390	0.000	1	122.0390	0.000	1	122.5910	1.966	3	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.5490	0.000	1	121.5490	0.000	1	122.5910	1.966	3	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	124.1850	0.000	1	124.1850	0.000	1	122.5910	1.966	3	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	116.9790	0.000	1	116.9790	0.000	1	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.3570	0.000	1	122.3570	0.000	1	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8290	0.000	1	121.8290	0.000	1	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.3290	0.000	1	123.5987	0.440	3	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.7335	0.878	2	123.5987	0.440	3	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	124.4865	0.478	4	124.4865	0.229	4	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	118.2460	0.000	1	118.2460	0.000	1	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	118.1280	0.000	1	118.1280	0.000	1	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	119.9837	1.154	3	119.9837	1.333	3	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	120.4610	0.808	3	120.4610	0.652	3	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,4|H<1>}	119.2430	0.000	1	119.2430	0.000	1	121.4136	6.264	19	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.4180	0.000	1	120.4180	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.6250	1.401	2	122.5074	0.641	5	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.6905	0.381	2	122.5074	0.641	5	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.9060	0.000	1	122.5074	0.641	5	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2780	0.400	2	121.9641	0.415	8	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.4770	0.000	1	121.9641	0.415	8	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.4290	0.000	1	121.9641	0.415	8	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.3127	0.506	4	121.9641	0.415	8	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Er)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Er<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Er)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.4540	0.000	1	123.4540	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.9850	0.931	3	122.4728	0.904	6	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.1830	0.000	1	122.4728	0.904	6	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.7400	0.000	1	122.4728	0.904	6	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	121.9590	0.000	1	122.4728	0.904	6	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	122.7915	1.585	2	122.7915	2.511	2	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.6430	0.000	1	122.5124	0.589	26	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.7640	0.309	3	122.5124	0.589	26	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.4267	0.784	22	122.5124	0.589	26	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9210	1.572	3	121.7377	1.776	9	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	120.5280	0.000	1	121.7377	1.776	9	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1463	1.045	3	121.7377	1.776	9	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.9545	0.395	2	121.7377	1.776	9	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	122.1480	0.000	1	122.1480	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1965	1.067	2	122.2340	1.736	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.6970	0.000	1	122.2340	1.736	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	120.8460	0.000	1	122.2340	1.736	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.5600	0.000	1	122.4093	1.024	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.3420	0.000	1	122.4093	1.024	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.9180	0.000	1	122.4093	1.024	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8170	0.000	1	122.4093	1.024	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,4|H<1>}	124.2930	0.000	1	124.2930	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	122.8325	0.800	2	122.8325	0.640	2	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	124.7320	0.000	1	123.9442	2.714	5	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.7473	1.833	4	123.9442	2.714	5	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Rh<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	122.4875	1.230	2	122.4875	1.512	2	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,2|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|H<1>}	122.1920	0.494	3	122.1920	0.244	3	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	122.9740	0.000	1	122.9740	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8560	0.000	1	121.8560	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Sb)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sb<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Sb)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6855	0.569	4	121.6855	0.323	4	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Sm)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sm<13>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Sm)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.5160	0.977	2	122.5160	0.955	2	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|H<1>}	122.5000	0.000	1	122.5000	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Yb)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Yb<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Yb)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	123.5410	0.000	1	123.5410	0.000	1	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.9483	0.363	3	122.9038	3.828	11	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1548	0.611	5	122.9038	3.828	11	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	128.5260	0.000	1	122.9038	3.828	11	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8985	0.285	2	122.9038	3.828	11	122.4757	1.371	101	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	124.6120	0.000	2	124.6120	0.000	2	124.6120	0.000	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Co<4>,2|H<1>,5|C<3>}	122.4445	0.573	2	122.4445	0.329	2	122.4520	0.165	3	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Fe<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Fe<4>,2|H<1>,5|C<3>}	122.4670	0.000	1	122.4670	0.000	1	122.4520	0.165	3	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(N[5]C[5,6a]Ag)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	C[5](C[6a]C[6a,6a]2)(N[5]C[5,6a]Ag)(N[5]C[5,6a]H){6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ag<2>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){1|Ag<2>,3|H<1>,7|C<3>}	122.3390	0.692	2	122.3390	0.478	2	122.3390	0.478	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|Ir<6>,2|H<1>,5|C<3>}	122.6850	0.000	1	122.6850	0.000	1	128.6220	70.496	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2){3|H<1>,5|C<3>}	134.5590	0.000	1	134.5590	0.000	1	128.6220	70.496	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H){8|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){3|H<1>,8|C<3>}	126.7810	0.000	1	126.7810	0.000	1	126.7810	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Ir)(N[5]C[5]H){1|O<2>,5|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,3|H<1>,5|C<3>}	123.7390	1.872	2	123.7390	3.506	2	123.7390	3.506	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ag)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ag)(N[5]C[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ag<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ag<2>,3|C<3>,3|H<1>}	123.5335	0.283	4	123.5335	0.080	4	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	123.0790	0.000	1	123.0790	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Co<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Co<4>,2|H<1>,3|C<3>}	124.2270	0.211	2	123.8997	0.162	4	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Co<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	123.5725	0.111	2	123.8997	0.162	4	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Co<6>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Co<6>,2|H<1>,3|C<3>}	123.0210	0.000	1	123.0210	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	124.3800	0.045	2	124.3800	0.002	2	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	124.0154	0.910	7	123.0915	3.732	10	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<6>,3|C<3>,3|H<1>}	120.9357	2.086	3	123.0915	3.732	10	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cr<6>,3|C<3>,3|H<1>}	124.8370	0.000	1	124.8370	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Cu<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	124.1733	1.129	3	124.1733	1.275	3	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	123.9290	1.124	9	123.7037	1.630	10	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<5>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<5>,3|C<3>,3|H<1>}	121.6760	0.000	1	123.7037	1.630	10	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Fe<6>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Fe<6>,2|H<1>,3|C<3>}	123.0960	0.000	1	123.0960	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|P<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Fe<5>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<5>,3|C<3>,3|H<1>}	123.0690	1.415	6	122.3785	2.724	16	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|P<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<6>,3|C<3>,3|H<1>}	120.7507	0.778	3	122.3785	2.724	16	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Fe<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<6>,3|C<3>,3|H<1>}	122.4843	1.768	7	122.3785	2.724	16	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|O<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	121.3170	0.000	1	121.3170	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|C<3>,4|H<1>}	124.4848	1.684	4	126.0578	1.537	24	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,3|C<3>,3|H<1>}	126.3998	1.218	6	126.0578	1.537	24	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	126.3606	0.763	14	126.0578	1.537	24	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	127.1130	0.000	1	127.1130	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){3|C<3>,4|H<1>}	126.2140	3.186	2	126.2140	10.152	2	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	126.7465	0.474	24	126.7172	0.237	25	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	126.0140	0.000	1	126.7172	0.237	25	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Ir<6>,2|H<1>,3|C<3>}	122.0180	0.000	1	122.0265	0.000	2	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,3|C<3>,3|H<1>}	122.0350	0.000	1	122.0265	0.000	2	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ir<6>,3|C<3>,3|H<1>}	122.2910	0.000	1	122.2910	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Mn<6>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Mn<6>,2|H<1>,3|C<3>}	123.9210	0.000	1	123.9210	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Mn<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mn<6>,3|C<3>,3|H<1>}	122.0167	1.430	3	122.0167	2.045	3	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ni<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ni<6>,3|C<3>,3|H<1>}	121.9756	1.436	9	121.9756	2.061	9	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Os<6>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Os<6>,3|C<3>,3|H<1>}	123.0060	0.000	1	123.0060	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Os<7>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	131.3260	0.000	1	131.3260	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,3|C<3>,3|H<1>}	123.3750	0.000	1	123.3750	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Pt<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Pt<4>,2|H<1>,3|C<3>}	126.0840	0.000	1	126.0840	0.000	1	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Zn<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	123.7470	0.515	2	123.7470	0.265	2	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Zn<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	124.2720	0.358	2	124.2720	0.128	2	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Zn<6>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<6>,3|C<3>,3|H<1>}	121.8320	1.169	3	121.8320	1.367	3	124.3959	4.912	133	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	126.6520	0.000	1	126.6520	0.000	1	126.6520	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]N[5,6]C[6a])(C[5]C[5,6]C)(H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]N[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|H<1>,1|O<2>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Be<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Be<4>,3|C<3>,3|H<1>}	124.4120	0.000	1	124.4120	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	123.2950	0.000	1	123.2950	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	126.7030	0.000	1	126.7030	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	122.6120	0.000	1	122.6120	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	123.5170	0.000	1	123.5170	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	124.3480	0.129	2	124.3480	0.017	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Cd<6>,3|C<3>,3|H<1>}	120.9790	0.000	1	120.9790	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cd<4>,2|H<1>,4|C<3>}	121.3230	0.000	1	121.3230	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Co<4>,2|H<1>,3|C<3>}	124.1760	0.302	4	123.9082	0.273	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	123.3725	0.483	2	123.9082	0.273	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	122.2510	0.000	1	122.2510	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	123.2267	0.280	3	123.2267	0.078	3	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	123.6330	0.795	2	123.8057	0.405	3	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	124.1510	0.000	1	123.8057	0.405	3	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<2>,2|H<1>,4|C<3>}	123.0050	0.000	1	123.0050	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	124.0925	1.798	2	124.8487	3.332	3	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	126.3610	0.000	1	124.8487	3.332	3	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){3|C<3>,4|H<1>}	125.3585	2.436	2	125.3585	5.934	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	126.1660	1.052	4	126.1660	1.107	4	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){3|C<3>,4|H<1>}	124.9630	1.471	4	125.0338	2.043	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){3|C<3>,4|H<1>}	125.1755	1.914	2	125.0338	2.043	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	125.2250	1.531	6	125.2250	2.344	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	126.9480	0.000	1	125.7244	1.033	16	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	125.1075	1.664	2	125.7244	1.033	16	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|C<3>,4|H<1>}	125.5990	0.642	2	125.7244	1.033	16	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	125.7576	1.032	9	125.7244	1.033	16	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|H<1>,4|C<3>}	125.7055	1.221	2	125.7244	1.033	16	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	125.5526	0.958	5	125.5526	0.918	5	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	130.9220	0.194	2	130.9220	0.038	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mn<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,3|C<3>,3|H<1>}	121.4360	0.000	1	121.4360	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.7900	0.000	1	122.7900	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|Ni<4>,3|C<3>,3|H<1>}	122.1795	0.308	2	122.1795	0.095	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<4>,2|Br<1>,1|H<1>,3|C<3>}	122.9120	0.000	1	122.9700	0.007	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<5>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<5>,3|C<3>,3|H<1>}	123.0280	0.000	1	122.9700	0.007	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	131.4892	0.342	8	131.4892	0.117	8	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	122.7750	0.000	1	122.7750	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ru<9>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	130.4240	0.000	1	130.4240	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){1|Zn<4>,2|N<3>,3|C<3>,3|H<1>}	120.1740	0.109	2	120.1740	0.012	2	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	122.9060	0.000	1	122.9060	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|H<1>,2|C<4>,3|C<3>}	122.8966	1.331	5	123.0645	1.586	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	123.9040	0.000	1	123.0645	1.586	6	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,2|H<1>,4|C<3>}	123.0700	0.000	1	123.0700	0.000	1	125.1437	7.822	93	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){1|Cl<1>,1|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	126.0525	0.518	2	126.0525	0.269	2	126.1143	0.405	12	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	126.0800	1.195	2	126.0102	1.041	4	126.1143	0.405	12	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	125.9405	1.295	2	126.0102	1.041	4	126.1143	0.405	12	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|F<1>,2|O<1>,3|C<3>}	125.8670	0.194	2	125.9832	0.081	4	126.1143	0.405	12	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	126.0995	0.391	2	125.9832	0.081	4	126.1143	0.405	12	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	126.6460	0.359	2	126.6460	0.129	2	126.1143	0.405	12	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	P[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Hg<4>,1|H<1>,4|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Hg<4>,3|C<3>,3|H<1>}	118.5080	0.000	1	118.5080	0.000	1	120.4035	7.186	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	P[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,3|C<3>,3|H<1>}	122.2990	0.000	1	122.2990	0.000	1	120.4035	7.186	2	123.6114	6.491	429	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	123.7150	0.287	2	123.7150	0.082	2	123.7150	0.082	2	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(OH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(OH){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,3|H<1>}	121.8180	0.000	1	121.8180	0.000	1	122.8058	0.773	5	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,3|H<1>}	123.0528	0.790	4	123.0528	0.624	4	122.8058	0.773	5	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	125.6295	0.332	2	125.6295	0.110	2	125.6295	0.110	2	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.5510	0.000	1	123.5510	0.000	1	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Co)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Co){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Co<4>,2|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.4590	0.979	4	122.4590	0.959	4	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Cu)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Cu){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.9385	0.851	4	124.9385	0.724	4	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	125.7780	0.000	1	125.7780	0.000	1	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|I<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	125.3120	0.000	1	125.3120	0.000	1	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ir)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<4>,2|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.6750	0.000	1	123.6750	0.000	1	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Mn)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Mn){1|B<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Mn<6>,1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1593	1.388	3	120.1593	1.925	3	123.2256	4.455	15	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ir){2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	134.6110	0.262	2	134.6110	0.068	2	132.4977	13.433	3	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Mo)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Mo){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Mo<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<2>,2|H<1>,3|C<3>}	128.2710	0.000	1	128.2710	0.000	1	132.4977	13.433	3	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	133.2680	0.000	1	133.2680	0.000	1	133.2680	0.000	1	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,2|H<1>,4|C<3>}	128.9080	0.000	1	128.9080	0.000	1	128.9080	0.000	1	124.8542	14.985	29	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	P[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,1|P<3>,2|H<1>,3|C<3>}	125.3130	0.805	2	125.3130	0.648	2	125.3130	0.648	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	123.5015	1.057	4	123.5015	1.118	4	123.5015	1.118	4	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	120.4050	0.000	1	120.4050	0.000	1	122.0563	3.146	4	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.6570	0.000	1	122.6067	2.901	3	122.0563	3.146	4	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	123.5815	0.316	2	122.6067	2.901	3	122.0563	3.146	4	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	124.3310	0.624	2	124.3310	0.389	2	124.3310	0.389	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){1|C<4>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2){1|C<4>,2|H<1>,6|C<3>}	133.0360	0.000	1	133.0360	0.000	1	133.0360	0.000	1	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2){2|H<1>,6|C<3>}	133.5960	0.481	2	133.5960	0.231	2	133.5960	0.231	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H){8|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){3|H<1>,8|C<3>}	126.7640	0.000	1	126.7640	0.000	1	126.7640	0.000	1	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])2(NHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]N){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])2(NHH){1|Zn<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.3045	1.609	4	126.3045	2.587	4	126.3045	2.587	4	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:Ge[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2){1|I<1>,1|N<3>,3|H<1>,6|C<3>}	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	124.5215	0.306	2	124.5215	0.094	2	124.5215	0.094	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Al)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Al){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Al<4>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Al<4>,1|N<3>,2|H<1>,3|C<3>}	120.9860	0.000	1	120.9860	0.000	1	126.8711	32.670	11	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Fe)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Fe){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Fe<5>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	120.2100	0.000	1	120.2100	0.000	1	126.8711	32.670	11	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	125.9720	1.571	3	125.9720	2.469	3	126.8711	32.670	11	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Ni)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ni<4>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	121.8900	0.000	1	121.8900	0.000	1	126.8711	32.670	11	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	133.4977	0.367	4	133.4977	0.135	4	126.8711	32.670	11	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Zn)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Zn){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Zn<3>,2|C<4>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<3>,1|N<3>,2|H<1>,3|C<3>}	120.5890	0.000	1	120.5890	0.000	1	126.8711	32.670	11	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	123.2815	0.100	2	121.8213	2.742	6	121.5276	1.872	12	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	121.6520	1.329	3	121.8213	2.742	6	121.5276	1.872	12	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	119.4090	0.000	1	121.8213	2.742	6	121.5276	1.872	12	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|H<1>,3|C<3>}	122.2010	0.000	1	122.2010	0.000	1	121.5276	1.872	12	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	121.0404	1.087	5	121.0404	1.181	5	121.5276	1.872	12	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	121.9160	0.000	1	121.5435	0.278	2	121.5435	0.278	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	121.1710	0.000	1	121.5435	0.278	2	121.5435	0.278	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	127.5190	0.000	1	127.5190	0.000	1	124.2625	21.210	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	121.0060	0.000	1	121.0060	0.000	1	124.2625	21.210	2	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Co)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|H<1>,1|O<2>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<4>,5|C<3>}	124.7690	0.000	1	124.7690	0.000	1	131.9401	19.110	9	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|H<1>,1|O<2>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	132.5560	0.000	1	132.5560	0.000	1	131.9401	19.110	9	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){1|H<1>,1|O<2>,6|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,2|H<1>,4|C<3>}	123.9460	0.000	1	123.9460	0.000	1	131.9401	19.110	9	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]Ir)	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]Ir){1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2){1|Ir<6>,1|C<4>,7|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	134.3650	0.614	6	134.3650	0.377	6	131.9401	19.110	9	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,4|C<3>}	126.3450	0.281	2	126.3450	0.079	2	132.1342	10.760	10	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|Ir<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	132.2195	0.660	2	132.2195	0.435	2	132.1342	10.760	10	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	133.0350	0.387	2	133.0350	0.150	2	132.1342	10.760	10	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	134.6415	1.949	2	134.6415	3.801	2	132.1342	10.760	10	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt){3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pt<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	134.4300	0.772	2	134.4300	0.596	2	132.1342	10.760	10	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	125.9365	2.187	2	125.9043	1.128	7	125.9043	1.128	7	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	125.8722	0.811	4	125.9043	1.128	7	125.9043	1.128	7	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|P<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	125.9680	0.000	1	125.9043	1.128	7	125.9043	1.128	7	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])2(C[6a]C[6a]2)	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6]C[6a])2(C[6a]C[6a]2){2|Ge<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ge<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.7270	0.733	4	126.7270	0.537	4	126.7270	0.537	4	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Cu<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	124.8800	0.000	1	124.3480	0.566	2	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Cu<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,2|H<1>,4|C<3>}	123.8160	0.000	1	124.3480	0.566	2	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	131.4300	0.000	1	131.4300	0.000	1	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<2>,1|H<1>,4|C<3>}	135.4000	0.000	1	131.7573	3.049	11	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,4|C<3>}	130.6955	0.453	2	131.7573	3.049	11	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,5|C<3>}	131.1773	1.899	4	131.7573	3.049	11	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	131.9575	0.902	4	131.7573	3.049	11	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	129.2027	0.851	10	129.2027	0.724	10	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,4|C<3>}	131.5460	0.373	2	131.1578	0.396	13	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,5|C<3>}	131.1220	0.563	6	131.1578	0.396	13	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|O<2>,5|C<3>}	131.1150	0.687	2	131.1578	0.396	13	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	130.9993	1.042	3	131.1578	0.396	13	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Re<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Re<6>,2|H<1>,4|C<3>}	124.2755	1.051	2	124.2755	1.106	2	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ru<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	129.4490	0.000	1	129.4490	0.000	1	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	125.3958	1.714	6	125.3958	2.936	6	129.4980	8.072	46	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	128.4360	0.000	1	128.4360	0.000	1	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Al<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Al<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	125.8410	0.000	1	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.3655	0.790	2	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Fe<5>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Fe<5>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	125.7640	0.000	1	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ni<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.3390	0.000	1	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.6825	0.163	4	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Zn<3>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Zn<3>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	124.9590	0.000	1	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	128.0197	0.639	3	126.6479	0.976	13	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.6540	0.000	1	126.6540	0.000	1	126.7675	1.049	15	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Al)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Al<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Al){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	127.7600	0.000	1	127.7600	0.000	1	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Fe)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Fe<5>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Fe){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	127.3730	0.000	1	127.3730	0.000	1	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.0930	0.410	2	125.4565	1.807	19	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ni<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	124.7150	0.000	1	125.4565	1.807	19	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	124.1245	1.620	4	125.4565	1.807	19	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,2|H<1>,4|C<3>}	124.9060	0.000	1	125.4565	1.807	19	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	124.7503	0.638	3	125.4565	1.807	19	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.3897	0.960	8	125.4565	1.807	19	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	127.3125	0.047	2	127.3125	0.002	2	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.7040	0.000	1	127.7840	2.333	2	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	128.8640	0.000	1	127.7840	2.333	2	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	126.5545	0.520	4	127.8741	3.151	8	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	129.1938	1.562	4	127.8741	3.151	8	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Zn)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Zn<3>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Zn){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	127.9850	0.000	1	127.9850	0.000	1	126.4699	3.086	34	127.2520	15.589	178	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	128.0500	0.000	1	128.0500	0.000	1	126.1525	1.830	4	125.6283	1.901	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2{1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	125.2895	0.609	2	125.2895	0.371	2	126.1525	1.830	4	125.6283	1.901	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Rh<6>,1|C<4>,1|H<1>,4|C<3>}	125.9810	0.000	1	125.9810	0.000	1	126.1525	1.830	4	125.6283	1.901	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<2>,1|C<4>,2|N<3>,3|C<3>}	125.1790	0.000	1	124.5800	0.718	2	124.5800	0.718	2	125.6283	1.901	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<4>,2|N<3>,4|C<3>}	123.9810	0.000	1	124.5800	0.718	2	124.5800	0.718	2	125.6283	1.901	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C){3|H<1>,4|C<3>}	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){1|N<2>,3|C<3>}	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	127.7942	0.511	13	127.7942	0.261	13	127.7942	0.261	13	127.7942	0.261	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	124.6210	0.000	1	124.6210	0.000	1	124.6210	0.000	1	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.7410	0.000	1	121.7410	0.000	1	124.3350	1.251	11	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	123.9050	0.000	1	124.6358	0.619	9	124.3350	1.251	11	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	124.7271	0.788	8	124.6358	0.619	9	124.3350	1.251	11	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH){4|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	124.2220	0.000	1	124.2220	0.000	1	124.3350	1.251	11	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]F)2	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,1|H<1>,2|F<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	124.2935	0.706	2	124.2935	0.499	2	124.6692	0.665	5	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.0470	1.263	2	125.0470	1.595	2	124.6692	0.665	5	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Se<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3){4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.6650	0.000	1	124.6650	0.000	1	124.6692	0.665	5	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.9330	0.000	1	123.9330	0.000	1	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH){1|Pd<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.7990	0.000	1	126.7990	0.000	1	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.1570	0.424	2	124.1570	0.180	2	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<3>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<3>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.4753	0.974	4	123.0711	0.922	16	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.1025	1.212	4	123.0711	0.922	16	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<5>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.1340	0.733	2	123.0711	0.922	16	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.8555	0.086	2	123.0711	0.922	16	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.2245	1.463	2	123.0711	0.922	16	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.1990	0.174	2	123.0711	0.922	16	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.1532	0.437	4	123.1532	0.191	4	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.4503	0.720	4	123.4503	0.519	4	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3920	0.981	2	123.1747	2.319	3	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|Ru<6>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.7400	0.000	1	123.1747	2.319	3	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Re<6>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.7830	1.527	6	123.9090	2.054	7	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.6650	0.000	1	123.9090	2.054	7	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Co<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.5975	1.106	8	122.6322	0.965	42	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Cu<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.4970	0.619	2	122.6322	0.965	42	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Ni<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.0562	0.961	11	122.6322	0.965	42	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Pd<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.6420	0.883	5	122.6322	0.965	42	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Zn<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.2470	0.909	16	122.6322	0.965	42	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.6653	1.108	8	122.6653	1.228	8	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.3942	1.183	8	123.3942	1.399	8	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<5>,1|P<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3){1|Fe<5>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.7408	1.126	9	122.7408	1.269	9	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.6780	0.667	4	123.6780	0.445	4	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.0025	0.574	4	122.0025	0.329	4	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.0335	0.716	4	123.0335	0.513	4	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.8430	0.000	1	124.6105	3.038	2	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	123.3780	0.000	1	124.6105	3.038	2	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.8363	1.632	3	121.8363	2.662	3	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.0670	2.425	2	125.0670	5.882	2	123.0234	1.432	124	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2325	0.726	2	123.2325	0.527	2	123.2325	0.527	2	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	119.4130	0.840	2	119.4130	0.706	2	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	120.1150	0.000	1	120.1150	0.000	1	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	121.4055	1.220	2	121.4055	1.488	2	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.9197	1.563	3	123.9197	2.443	3	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	122.5350	0.000	1	123.1995	0.883	2	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	123.8640	0.000	1	123.1995	0.883	2	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	120.8700	0.000	1	120.8700	0.000	1	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	123.2070	0.000	1	123.2070	0.000	1	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	123.3300	0.000	1	123.3300	0.000	1	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	121.5830	0.000	1	121.5830	0.000	1	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3){1|S<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	121.6420	0.228	2	121.6420	0.052	2	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	119.0270	0.000	1	119.0270	0.000	1	121.8359	3.307	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	122.3260	0.000	1	122.3260	0.000	1	120.1197	3.736	3	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	119.0165	0.414	2	119.0165	0.171	2	120.1197	3.736	3	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B){1|Br<1>,1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H){2|Br<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	123.7012	0.739	6	123.7012	0.546	6	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	125.1980	0.000	1	124.0289	0.552	16	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	123.9509	0.698	15	124.0289	0.552	16	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	124.0550	0.000	1	124.2340	0.402	7	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	124.2638	0.689	6	124.2340	0.402	7	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	124.3699	0.936	47	124.4100	0.907	54	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	124.7967	1.152	6	124.4100	0.907	54	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<7>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	123.9750	0.000	1	124.4100	0.907	54	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Mn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	124.9203	0.139	3	124.9203	0.019	3	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	123.0100	0.000	1	124.0782	0.664	10	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	124.1969	0.767	9	124.0782	0.664	10	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(BN[5]2H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(BN[5]2H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	123.1990	0.000	1	123.1990	0.000	1	124.2597	0.773	97	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<5>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9040	0.638	2	123.4087	0.468	4	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<6>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.9135	0.128	2	123.4087	0.468	4	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.5690	1.813	4	124.5690	3.286	4	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9687	2.134	3	123.9687	4.555	3	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9800	0.000	1	123.9800	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.4160	0.000	1	125.4160	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pt<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.4250	0.000	1	122.4250	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.7335	2.295	2	123.7335	5.265	2	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Rh<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.1890	0.000	1	124.1890	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.6860	0.000	1	121.6860	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.4730	1.440	2	125.4730	2.073	2	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Zn<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.0637	0.165	6	125.0637	0.027	6	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3){1|Pd<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3820	0.000	1	120.3820	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	134.5880	0.000	1	134.5880	0.000	1	124.4742	6.318	28	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Co<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Co<4>,1|C<4>,1|H<1>,5|C<3>}	123.4155	0.260	2	123.4155	0.067	2	123.4155	0.067	2	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]B)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]B)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|B<4>,2|H<1>,3|C<3>}	124.7931	0.465	10	124.7931	0.216	10	124.7931	0.216	10	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|P<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH){1|Pd<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){1|Pd<4>,1|C<4>,2|H<1>,5|C<3>}	125.0180	0.000	1	125.0180	0.000	1	125.0180	0.000	1	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	125.9860	0.000	1	125.9860	0.000	1	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	126.7865	0.508	2	126.7865	0.258	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	126.2175	0.359	2	126.2175	0.129	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	124.1443	1.970	3	124.1443	3.879	3	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|F<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|C<4>,2|F<1>,3|C<3>}	125.0165	0.433	2	125.0165	0.188	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	125.8525	1.910	8	125.8525	3.646	8	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Rh<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH){1|Rh<6>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	127.1220	0.081	2	127.1220	0.006	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	126.0112	0.621	6	126.0112	0.386	6	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	129.4580	0.000	1	129.4580	0.000	1	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	126.5435	0.838	2	126.5435	0.702	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	126.3410	0.848	6	126.3410	0.719	6	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	123.0390	0.000	1	123.0390	0.000	1	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	128.5030	2.057	3	128.5030	4.229	3	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Rh<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	125.7530	0.368	2	125.7530	0.135	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	123.9510	0.000	1	123.9510	0.000	1	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	124.8030	0.313	2	124.8030	0.098	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Fe<5>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<5>,1|C<4>,2|H<1>,3|C<3>}	125.0495	0.885	10	125.0495	0.783	10	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C){1|F<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	135.2580	0.000	1	135.2580	0.000	1	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	133.6510	0.058	2	133.6510	0.003	2	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	132.7850	0.000	1	132.7850	0.000	1	126.4075	6.462	58	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(N[5]C[5]Pd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2){2|C<4>,2|H<1>,4|C<3>}	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	118.3860	0.000	1	118.3860	0.000	1	119.6970	3.437	2	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.0080	0.000	1	121.0080	0.000	1	119.6970	3.437	2	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,4|C<3>}	126.3340	0.277	2	126.3340	0.077	2	126.3340	0.077	2	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<2>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	124.5370	0.000	1	124.2745	0.138	2	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<3>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	124.0120	0.000	1	124.2745	0.138	2	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){2|C<3>,2|C<4>,3|H<1>}	125.0170	0.000	1	125.0170	0.000	1	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	129.8160	0.000	1	130.2098	0.085	6	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	129.9460	0.000	1	130.2098	0.085	6	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	130.3743	0.175	4	130.2098	0.085	6	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	128.5355	1.414	6	128.6766	1.611	8	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	129.7330	0.000	1	128.6766	1.611	8	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){4|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	128.4670	0.000	1	128.6766	1.611	8	128.4846	4.842	17	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|B<4>,2|H<1>,3|C<3>}	123.8200	0.617	4	123.8200	0.381	4	123.8200	0.381	4	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	124.0360	0.000	1	124.0360	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	128.0910	0.000	1	128.0910	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	127.0140	0.044	2	127.0140	0.002	2	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	127.6620	0.000	1	127.6620	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	126.5810	0.000	1	126.5810	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	125.7220	0.000	1	125.7220	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	125.3290	0.000	1	125.3290	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	125.3435	0.275	4	125.3435	0.076	4	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	125.7030	0.000	1	125.7030	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<3>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<3>,1|C<4>,2|H<1>,5|C<3>}	124.6925	1.923	2	123.1205	1.671	8	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<4>,1|C<4>,2|H<1>,5|C<3>}	122.5965	0.532	6	123.1205	1.671	8	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Cu<5>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	125.4330	0.000	1	125.4330	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Fe<5>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Fe<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.4140	0.000	1	124.4140	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	132.2210	0.504	4	132.5540	0.704	6	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<8>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	133.2200	1.194	2	132.5540	0.704	6	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	133.6615	1.322	2	133.6615	1.747	2	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ir<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	131.4455	1.034	8	131.4455	1.068	8	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Mn<5>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Mn<5>,1|C<4>,2|H<1>,3|C<3>}	125.8845	0.148	2	125.8845	0.022	2	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ni<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Ni<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	128.0200	0.083	2	127.3700	0.798	4	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ni<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Ni<4>,1|C<4>,2|H<1>,3|C<3>}	126.7200	0.834	2	127.3700	0.798	4	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Os<9>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	131.5190	0.000	1	131.5190	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	127.8930	0.000	1	127.8930	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	132.6677	0.132	3	132.6677	0.017	3	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	126.3640	0.000	1	126.3640	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	120.1780	0.544	2	120.1780	0.296	2	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ru<9>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	132.9510	0.000	1	132.9510	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Te<3>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,4|C<3>}	131.7180	0.406	2	131.7180	0.165	2	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|C<4>}	126.7040	0.000	1	126.7040	0.000	1	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	124.0925	1.244	2	124.0925	1.547	2	127.8679	15.256	59	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	124.8812	1.659	5	124.7062	1.804	8	124.7062	1.804	8	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	124.4147	0.778	3	124.7062	1.804	8	124.7062	1.804	8	124.7417	7.837	452	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	2:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6a]-2:N[6a]-2:C[5]-3:	C[5](C[6a]N[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](N[6a]C[6a])2(C[5]N[5]2)	C[5](C[6a]N[6a]2)(N[5]C[5]O)2{2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.3420	0.891	2	125.1047	0.418	4	125.1047	0.418	4	125.1047	0.418	4	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	2:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6a]-2:N[6a]-2:C[5]-3:	C[5](C[6a]N[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](N[6a]C[6a])2(C[5]N[5]2)	C[5](C[6a]N[6a]2)(N[5]C[5]O)2{2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){2|C<4>,2|O<1>,3|C<3>}	124.8675	0.486	2	125.1047	0.418	4	125.1047	0.418	4	125.1047	0.418	4	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.1380	1.312	6	125.1380	1.720	6	125.0319	1.505	8	125.0319	1.505	8	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|C<3>,1|N<2>,5|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	124.7135	1.289	2	124.7135	1.662	2	125.0319	1.505	8	125.0319	1.505	8	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O){1|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.1650	0.000	1	120.1650	0.000	1	124.9408	10.650	4	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)(O){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	125.5690	0.000	1	125.5690	0.000	1	124.9408	10.650	4	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	127.0145	0.383	2	127.0145	0.146	2	124.9408	10.650	4	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	122.1543	0.418	3	122.1543	0.175	3	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<3>,2|C<4>,3|H<1>}	120.0760	0.000	1	120.0760	0.000	1	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<4>,2|C<3>,2|C<4>,2|H<1>}	120.3478	1.194	6	120.3478	1.426	6	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.3290	0.000	1	121.4905	2.698	2	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H){1|O<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<3>,2|C<4>,2|H<1>}	122.6520	0.000	1	121.4905	2.698	2	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	124.2383	0.784	18	124.1005	0.587	24	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	123.6870	0.579	6	124.1005	0.587	24	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|C<3>,2|C<4>,3|H<1>}	120.3245	0.248	2	120.3245	0.062	2	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(N[5]C[5]H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	128.3140	0.000	2	128.3140	0.000	2	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ru<6>,1|C<3>,2|C<4>,3|H<1>}	122.0800	0.000	1	122.0800	0.000	1	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,2|C<3>,2|C<4>,2|H<1>}	120.1670	0.018	2	120.1670	0.000	2	123.0165	4.713	43	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	125.6740	1.324	4	125.6740	1.754	4	125.6740	1.754	4	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|Co<5>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	122.7655	1.678	2	122.7655	2.816	2	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|Cr<6>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cr<6>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.9060	0.355	8	121.9060	0.126	8	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|Cu<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.8090	0.000	1	121.8090	0.000	1	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	125.9425	0.688	2	125.9425	0.473	2	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	126.0151	0.523	10	125.7467	0.293	20	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>,2|O<1>}	125.7300	0.059	2	125.7467	0.293	20	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	125.4153	0.463	8	125.7467	0.293	20	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.3200	0.508	2	125.3200	0.258	2	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|F<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|C<4>,2|F<1>,2|O<1>}	124.7910	0.000	1	124.7910	0.000	1	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.4660	0.417	4	125.2414	1.350	8	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	125.0168	1.686	4	125.2414	1.350	8	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	124.1140	0.000	1	124.1140	0.000	1	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,5|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	125.5180	1.513	2	125.5180	2.290	2	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	125.6979	0.498	13	125.6626	0.192	29	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	125.7903	0.207	4	125.6626	0.192	29	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	125.5818	0.439	12	125.6626	0.192	29	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	126.7840	0.000	1	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	124.6720	0.000	1	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	124.8520	0.000	1	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	125.7845	1.582	2	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	125.7904	0.607	16	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	126.1135	1.610	2	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	125.7220	0.459	4	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	127.8252	2.306	4	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<2>,2|O<1>,3|C<4>}	126.3876	0.730	8	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.9746	0.678	42	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	125.1980	0.532	4	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>,2|O<2>}	126.2013	0.254	4	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	125.6700	0.411	6	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>}	125.7672	0.460	5	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|O<1>,3|C<4>}	126.3770	0.919	4	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	124.8150	0.201	3	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.2750	0.000	1	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	125.6580	0.000	1	125.9478	0.771	109	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|Br<1>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	125.0180	1.334	2	125.0180	1.778	2	125.5855	1.454	187	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){2|C<3>,2|C<4>,3|H<1>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	125.1039	3.115	239	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	121.7840	0.064	2	121.7840	0.004	2	123.6973	6.634	7	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	125.0632	2.729	4	125.0632	7.445	4	123.6973	6.634	7	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.0600	0.000	1	122.0600	0.000	1	123.6973	6.634	7	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.4060	0.000	1	113.4060	0.000	1	113.4060	0.000	1	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCr){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	128.9480	0.000	1	128.9480	0.000	1	127.1710	1.108	5	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(ODy)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(ODy){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.8640	0.000	1	126.8640	0.000	1	127.1710	1.108	5	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OGd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OGd){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.1680	0.000	1	126.1680	0.000	1	127.1710	1.108	5	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.7570	0.000	1	126.7570	0.000	1	127.1710	1.108	5	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	127.1180	0.000	1	127.1180	0.000	1	127.1710	1.108	5	124.2417	17.219	13	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,1|C<4>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	121.4080	0.000	1	120.4260	0.956	7	120.4260	0.956	7	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	120.2623	0.961	6	120.4260	0.956	7	120.4260	0.956	7	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:B[5]-4:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N)	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N){2|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C){4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.6585	0.210	2	123.6585	0.044	2	123.6585	0.044	2	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Cu<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.2870	0.109	2	123.2870	0.012	2	123.2870	0.012	2	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	129.9000	0.000	1	129.4485	0.408	2	129.4485	0.408	2	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<3>,2|C<4>,2|H<1>}	128.9970	0.000	1	129.4485	0.408	2	129.4485	0.408	2	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,7|H<1>}	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	125.2335	0.627	2	125.2335	0.393	2	125.2335	0.393	2	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[3]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|S<2>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	126.2330	0.000	1	126.2330	0.000	1	127.1617	0.520	4	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	127.6375	0.493	2	127.6375	0.243	2	127.1617	0.520	4	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Rh<6>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	127.1390	0.000	1	127.1390	0.000	1	127.1617	0.520	4	123.8824	10.170	22	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH){4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5,5]CH)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5,5]CH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.9170	0.648	2	121.9170	0.420	2	121.9170	0.420	2	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.2290	0.000	1	124.3670	0.038	2	124.3670	0.038	2	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){2|H<1>,2|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.5050	0.000	1	124.3670	0.038	2	124.3670	0.038	2	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	121.4740	0.000	1	121.4740	0.000	1	121.4760	1.272	4	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	123.0140	0.000	1	123.0140	0.000	1	121.4760	1.272	4	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	120.7080	0.520	2	120.7080	0.271	2	121.4760	1.272	4	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(SC[6a]OO){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	128.3220	0.000	1	128.3220	0.000	1	128.3220	0.000	1	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	126.5240	0.798	2	126.5240	0.636	2	125.0701	1.664	7	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	125.9950	0.000	1	125.9950	0.000	1	125.0701	1.664	7	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	124.4050	0.000	1	124.4050	0.000	1	125.0701	1.664	7	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,4|C<4>}	124.0030	0.000	1	124.0030	0.000	1	125.0701	1.664	7	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,4|C<4>}	124.0200	0.693	2	124.0200	0.480	2	125.0701	1.664	7	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<2>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	123.9620	0.000	1	124.0980	0.037	2	124.0980	0.037	2	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<3>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	124.2340	0.000	1	124.0980	0.037	2	124.0980	0.037	2	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Ni)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Ni){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Ni<4>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	131.2535	0.477	2	131.2535	0.228	2	130.7484	1.907	5	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	130.4117	1.810	3	130.4117	3.274	3	130.7484	1.907	5	124.7979	13.623	26	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	3:5:3:	2:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:In[5]-5:C[5]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5]){1|N<2>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2){1|In<5>,2|H<1>,4|C<3>}	121.9860	0.020	2	121.9860	0.000	2	121.9860	0.000	2	121.9860	0.000	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(H){1|O<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O)	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	123.6886	1.017	16	123.6886	1.034	16	123.6886	1.034	16	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	123.5090	1.324	2	123.5090	1.752	2	124.2897	7.264	8	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|P<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	122.7620	1.742	4	122.7620	3.036	4	124.2897	7.264	8	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|Ir<8>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	128.1260	0.000	2	128.1260	0.000	2	124.2897	7.264	8	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(N[5]C[5,6]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){1|Ir<8>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	128.1490	1.016	4	128.1490	1.033	4	128.0610	1.398	8	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]Rh)(C[6a]C[6a]2)(N[5]C[5,6]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6]Rh)(C[6a]C[6a]2)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){1|Rh<8>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	127.9730	1.486	4	127.9730	2.208	4	128.0610	1.398	8	124.7688	6.817	34	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(OPt)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(OPt){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	Si[5,6]-4:C[5]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2)	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH){1|H<1>,8|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	122.1318	8.177	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	122.1318	8.177	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:B[5]-3:C[6a]-3:	B[4,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]B[4,5]C[6a])(B[5]C[6a]O[5])(C[6a]C[6a]2)	N[5](B[4,5]C[4]O[4]O[5])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]N[5])(C[6a]C[6a]C)2	C[5](N[5]B[4,5]C[6a])(B[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,3|C<4>,6|C<3>}	N[5](B[4,5]C[4]O[4]O[5])(C[5]C[6a]B[5])(C[6a]C[6a]2){5|C<3>,5|C<4>}	C[6a](C[5]B[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|H<1>,3|C<3>}	126.9950	0.000	1	126.9950	0.000	1	126.9950	0.000	1	122.1318	8.177	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	122.1318	8.177	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|N<3>,2|C<4>,3|C<3>}	121.1775	0.315	2	121.1775	0.099	2	121.1775	0.099	2	122.1318	8.177	6	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	125.4661	22.439	9	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	C[6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(SC[6a]OO){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	125.4661	22.439	9	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	124.4260	1.549	2	124.4260	2.398	2	124.4260	2.398	2	125.4661	22.439	9	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]S){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO){1|Pd<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|Pd<4>,1|H<1>,1|S<4>,2|C<4>,4|C<3>}	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	125.4661	22.439	9	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H){1|Pt<4>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	129.9675	0.528	4	129.9675	0.279	4	129.9675	0.279	4	125.4661	22.439	9	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:3:4:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:C[5]-4:	C[5,6]-4:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH){4|C<3>,4|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(O){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	124.9270	0.000	1	124.9270	0.000	1	124.7110	0.093	2	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	124.4950	0.000	1	124.4950	0.000	1	124.7110	0.093	2	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	120.4560	0.000	1	121.9180	0.696	5	122.7410	2.599	8	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	122.2835	0.193	4	121.9180	0.696	5	122.7410	2.599	8	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	122.0960	0.000	1	122.0960	0.000	1	122.7410	2.599	8	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.7470	0.000	1	124.7470	0.000	1	122.7410	2.599	8	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	125.4950	0.000	1	125.4950	0.000	1	122.7410	2.599	8	123.1350	2.722	10	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	125.8910	0.524	3	125.8910	0.275	3	125.8910	0.275	3	125.8910	0.275	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	3:4:3:	4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.9785	0.708	2	122.9785	0.501	2	122.9785	0.501	2	122.9785	0.501	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	125.7805	2.942	2	125.7805	8.657	2	125.7805	8.657	2	125.7805	8.657	2	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	4:3:3:	3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	124.4770	0.000	1	124.4770	0.000	1	124.4770	0.000	1	124.4770	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	4:3:3:	3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2){1|Ru<10>,4|C<3>,4|C<4>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Ru<10>,2|C<3>,2|H<1>,3|C<4>}	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	4:3:3:	4:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.7470	0.000	1	124.7470	0.000	1	124.7470	0.000	1	121.9877	5.807	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP2	C[5]	N[5]	C[6a]	4:3:3:	4:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	120.6080	0.438	2	120.6080	0.192	2	120.6080	0.192	2	121.9877	5.807	3	124.8888	8.706	1963	124.8888	8.835	2023
818	542	643	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(SC[6a]OO)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	124.7520	0.000	1	124.7520	0.000	1	124.9315	0.064	2	124.9315	0.064	2	124.9315	0.064	2	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	125.1110	0.000	1	125.1110	0.000	1	124.9315	0.064	2	124.9315	0.064	2	124.9315	0.064	2	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:2:	3:4:4:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	119.7540	0.221	2	119.7540	0.049	2	119.7540	0.049	2	119.7540	0.049	2	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	118.8940	0.000	1	118.8940	0.000	1	119.4660	0.654	2	120.9170	3.032	4	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	120.0380	0.000	1	120.0380	0.000	1	119.4660	0.654	2	120.9170	3.032	4	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2700	0.000	1	122.2700	0.000	1	122.3680	0.019	2	120.9170	3.032	4	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4660	0.000	1	122.4660	0.000	1	122.3680	0.019	2	120.9170	3.032	4	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	119.9430	3.065	2	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2){1|I<1>,1|N<3>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	119.9430	3.065	2	120.3097	1.864	9	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,6]	C[6a]	3:3:2:	4:3:4:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5])	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	120.1065	0.819	4	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:2:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5])(N[6]C[6])	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5])(N[6]C[6]){3|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1065	0.819	4	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	118.8580	0.000	1	118.8580	0.000	1	118.8580	0.000	1	119.9175	2.245	2	120.1065	0.819	4	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	119.9175	2.245	2	120.1065	0.819	4	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:2:3:	3:3:4:	3:3:3:	C[6a]-3:N[5]-2:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:2:3:	4:3:4:	3:3:3:	C[6a]-3:N[5]-2:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C){3|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,3|C<4>}	121.7030	0.000	1	121.7030	0.000	1	121.7030	0.000	1	121.7030	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	122.9237	1.355	3	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	N[5,5]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5,5]C)(N[5]C[5,5])	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]N[5,5]C)(N[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	122.9237	1.355	3	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	123.4860	0.000	1	123.4860	0.000	1	123.4860	0.000	1	122.9237	1.355	3	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	120.1480	0.356	2	120.1480	0.127	2	120.1480	0.127	2	120.1480	0.127	2	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	2:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	N[6a]-2:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>}	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:2:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	120.4642	0.646	4	120.4122	0.326	5	120.4122	0.326	5	120.4122	0.326	5	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.2040	0.000	1	120.4122	0.326	5	120.4122	0.326	5	120.4122	0.326	5	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:S-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SCOO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]O[5])	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]O[5]){2|H<1>,4|C<3>}	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(H){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.6665	0.046	2	123.6665	0.002	2	123.6665	0.002	2	123.6665	0.002	2	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]O[5])	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]O[5]){2|H<1>,4|C<3>}	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.6300	0.000	1	123.1477	1.466	3	123.1477	1.466	3	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.0430	0.000	1	123.1477	1.466	3	123.1477	1.466	3	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7700	0.000	1	123.1477	1.466	3	123.1477	1.466	3	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[6a]C[6a]2)(N[5]O[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6]C[6a])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5220	0.000	1	123.5220	0.000	1	123.5220	0.000	1	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]B[5])	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]B[5]){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	125.1340	0.000	1	125.1340	0.000	1	123.0168	4.225	4	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	120.8360	0.000	1	120.8360	0.000	1	123.0168	4.225	4	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7380	0.000	1	121.7380	0.000	1	123.0168	4.225	4	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.3590	0.000	1	124.3590	0.000	1	123.0168	4.225	4	122.9576	2.241	9	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5]){1|P<3>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	120.6325	0.893	4	120.6325	0.797	4	120.6325	0.797	4	120.7706	0.693	5	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:2:	4:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(SC[6a]OO){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	120.7706	0.693	5	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){1|C<4>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2){1|C<4>,2|H<1>,6|C<3>}	132.3290	0.000	1	132.3290	0.000	1	132.3290	0.000	1	132.3290	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.1460	0.000	1	120.1460	0.000	1	120.8010	0.858	2	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(SC[6a]OO){1|P<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	121.4560	0.000	1	121.4560	0.000	1	120.8010	0.858	2	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.3740	0.000	1	124.3740	0.000	1	124.3740	0.000	1	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|C<3>,3|H<1>}	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	128.4560	0.000	1	128.4560	0.000	1	128.9275	0.445	2	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt){4|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pt<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	129.3990	0.000	1	129.3990	0.000	1	128.9275	0.445	2	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ru<8>,1|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	124.2830	0.000	1	124.2830	0.000	1	124.2830	0.000	1	124.0821	13.838	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	118.7600	0.117	3	118.7600	0.014	3	118.7600	0.014	3	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Co<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<3>,2|C<4>,3|H<1>}	120.4510	0.000	1	120.4510	0.000	1	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|C<3>,2|C<4>,3|H<1>}	120.9250	0.000	1	120.9250	0.000	1	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Os<9>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	129.0520	0.000	1	129.0520	0.000	1	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|C<3>,2|C<4>,3|H<1>}	119.4770	0.000	1	119.4770	0.000	1	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(N[5]C[5]H){2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	128.0640	0.000	1	128.0640	0.000	1	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ru<6>,1|C<3>,2|C<4>,3|H<1>}	121.0780	0.677	3	121.0780	0.458	3	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<3>,2|C<4>,3|H<1>}	120.9410	1.174	2	120.9410	1.378	2	122.3085	11.395	10	121.4896	10.970	13	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.4200	0.948	2	121.4200	0.898	2	122.6128	3.815	4	123.3107	9.174	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S){1|N<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,1|S<4>,2|C<4>,2|H<1>}	122.2470	0.000	1	122.2470	0.000	1	122.6128	3.815	4	123.3107	9.174	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	125.3640	0.000	1	125.3640	0.000	1	122.6128	3.815	4	123.3107	9.174	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[6a]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.2200	0.000	1	120.2200	0.000	1	120.2200	0.000	1	123.3107	9.174	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,4|C<4>}	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	123.3107	9.174	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	128.9720	0.000	1	128.9720	0.000	1	128.9720	0.000	1	123.3107	9.174	7	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){4|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|N<3>,2|C<4>,3|C<3>}	121.8905	0.556	2	121.8905	0.310	2	121.8905	0.310	2	121.8905	0.310	2	122.2939	7.997	64	122.0238	7.487	79
818	542	643	0:SP2_SP2_SP3	C[5]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,2|H<1>}	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	122.2939	7.997	64	122.0238	7.487	79
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:2:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5])	N[5,6](C[5,6]C[6,6a]O[5])(O[5]In[3x5])(C[6]C[6]C)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5]){1|H<1>,4|C<3>,4|O<2>}	N[5,6](C[5,6]C[6,6a]O[5])(O[5]In[3x5])(C[6]C[6]C){1|H<1>,2|C<3>,4|O<2>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|In<6>,1|O<2>,2|C<3>,3|H<1>}	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:P[5]-2:	C[5,6]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6]){1|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5])	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.6450	0.000	1	115.6450	0.000	1	115.6450	0.000	1	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5])	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5]){1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.3305	0.148	2	118.3305	0.022	2	118.3305	0.022	2	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	124.8370	0.000	1	124.8370	0.000	1	124.4593	0.602	7	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	124.7086	0.361	5	124.7086	0.131	5	124.4593	0.602	7	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	122.8350	0.000	1	122.8350	0.000	1	124.4593	0.602	7	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	122.9690	0.000	1	122.9690	0.000	1	123.8640	1.602	2	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO){1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	124.7590	0.000	1	124.7590	0.000	1	123.8640	1.602	2	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	124.8540	0.000	1	124.8540	0.000	1	124.8540	0.000	1	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	129.4860	0.000	1	129.4860	0.000	1	129.4860	0.000	1	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,3|C<3>}	120.8320	0.000	1	120.9493	0.146	3	120.9493	0.146	3	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	120.6400	0.000	1	120.9493	0.146	3	120.9493	0.146	3	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	121.3760	0.000	1	120.9493	0.146	3	120.9493	0.146	3	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6]){3|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	124.4620	0.000	1	124.4620	0.000	1	122.9270	0.603	6	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	122.3250	0.000	1	122.3250	0.000	1	122.9270	0.603	6	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,4|C<3>}	122.7160	0.000	1	122.7160	0.000	1	122.9270	0.603	6	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	122.9060	0.000	1	122.6863	0.038	3	122.9270	0.603	6	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	122.5765	0.064	2	122.6863	0.038	3	122.9270	0.603	6	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	122.8387	7.867	24	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:2:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:B[6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5])	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5]){1|H<1>,1|O<2>,5|C<3>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5]){7|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5])	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5]){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H){2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	123.3472	1.310	6	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	124.1700	0.000	1	124.1700	0.000	1	124.1700	0.000	1	123.3472	1.310	6	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5]){1|H<1>,9|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	124.3250	0.069	2	124.3250	0.005	2	124.3250	0.005	2	123.3472	1.310	6	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5]){1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	123.3472	1.310	6	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5]){1|H<1>,9|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.3472	1.310	6	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:2:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:B[6]-4:C[5]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5])	N[5,6](C[5,6]C[6,6a]O[5])(B[6]N[6]FF)(C[5]C[5]CC)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|F<1>,3|H<1>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]N[6]FF)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	124.2250	0.018	2	124.2250	0.000	2	124.2250	0.000	2	124.2250	0.000	2	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,5|C<3>}	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]O)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]O)(C[6]C[6]H){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	118.8850	4.188	2	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O){1|N<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	118.8850	4.188	2	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.6080	0.602	2	117.6080	0.363	2	117.6080	0.363	2	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	116.7460	0.000	1	116.7460	0.000	1	117.6060	1.479	2	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.4660	0.000	1	118.4660	0.000	1	117.6060	1.479	2	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	118.6110	0.000	1	118.6110	0.000	1	118.6110	0.000	1	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	121.2240	0.000	1	121.4590	0.050	3	121.4590	0.050	3	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.5765	0.132	2	121.4590	0.050	3	121.4590	0.050	3	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cd<4>,1|C<4>,3|C<3>,3|H<1>}	118.6880	0.000	1	118.6880	0.000	1	121.2270	2.223	5	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.9280	0.000	1	121.9280	0.000	1	121.2270	2.223	5	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.1480	0.000	1	121.8397	0.415	3	121.2270	2.223	5	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.1855	0.334	2	121.8397	0.415	3	121.2270	2.223	5	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5]){5|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.8560	0.000	1	119.8560	0.000	1	119.8560	0.000	1	120.0947	3.823	15	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:B[6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C)	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh)	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.0168	0.573	4	118.0168	0.328	4	118.0168	0.328	4	118.9777	4.408	9	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C){4|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	118.9777	4.408	9	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H){4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.0950	0.000	1	119.0950	0.000	1	119.0950	0.000	1	118.9777	4.408	9	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5]){10|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	118.9777	4.408	9	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	118.9777	4.408	9	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	118.9777	4.408	9	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:S[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO){2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	3:3:4:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6a]	4:3:3:	3:4:4:	3:3:3:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH)	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	121.3684	7.690	66	121.3684	7.690	66
818	542	643	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:S[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1