542	490	846	0:SP2_SP2_SP3	N[5]	C	C[4,5]	3:3:4:	3:4:4:4:	3:3:2:	C[4,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[4,5]-3:N[5]-3:S[4]-2:	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3)	C(N[5]C[4,5]C[5])(CH3)3	C[4,5](N[4,5]In[4]C[5])(N[5]C[5]C)(S[4]In[4])	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3){1|In<5>,1|H<1>}	C(N[5]C[4,5]C[5])(CH3)3	C[4,5](N[4,5]In[4]C[5])(N[5]C[5]C)(S[4]In[4]){1|Cl<1>,2|H<1>,2|S<2>}	129.1740	0.389	2	129.1740	0.151	2	129.1740	0.151	2	129.1740	0.151	2	129.1740	0.151	2	129.1740	0.151	2
542	490	872	0:SP2_SP3_SP3	N[5]	C	Si[3,5]	4:4:4:	3:4:4:4:	4:3:3:3:	Si[3,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	C(N[5]Si[3,5]C[5])(CH3)3	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C(N[5]Si[3,5]C[5])(CH3)3	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	134.1240	0.530	2	134.1240	0.281	2	134.1240	0.281	2	134.1240	0.281	2	134.1240	0.281	2	134.1240	0.281	2
542	490	872	0:SP3_SP3_SP3	N[5]	C	Si[3,5]	4:4:4:	3:4:4:4:	4:3:3:3:	Si[3,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	C(N[5]Si[3,5]C[5])(CH3)3	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(N[5]Si[3,5]C[5])(CH3)3	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	129.5210	1.153	2	129.5210	1.328	2	129.5210	1.328	2	129.5210	1.328	2	129.5210	1.328	2	129.5210	1.328	2
542	490	878	0:SP2_SP-NON_SP3	N[5]	C	Ga[4,5,5]	4:3:4:	3:4:4:4:	4:4:3:3:	Ga[4,5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	C(N[5]Ga[4,5,5]C[5])(CH3)3	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	C(N[5]Ga[4,5,5]C[5])(CH3)3	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	135.2063	1.239	14	135.2063	1.534	14	135.2063	1.534	14	135.2063	1.534	14	135.2063	1.534	14	135.2063	1.534	14
542	490	881	0:SP2_SP3_SPD5	N[5]	C	Si[3,5]	5:3:4:	3:4:4:1:	6:3:3:3:3:	Si[3,5]-5:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:C[3]-3:C[3]-3:C[5]-3:N[5]-3:	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[3,5]C[5])(CH3)2(H)	Si[3,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[3]C[6a]C[3])2(C[5]N[5]2)(N[5]C[5]C)	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,2|N<3>,6|B<6>}	C(N[5]Si[3,5]C[5])(CH3)2(H)	Si[3,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[3]C[6a]C[3])2(C[5]N[5]2)(N[5]C[5]C){1|N<2>,2|C<4>,4|H<1>,5|B<6>,6|C<3>}	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1
542	490	881	0:SP3_SP3_SPD5	N[5]	C	Si[3,3,5]	5:4:4:	3:4:4:4:	5:2:2:3:3:	Si[3,3,5]-5:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	Si[3,3,5]-5:O[3]-2:O[3]-2:N[5]-3:N[5]-3:	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3)	C(N[5]Si[3,3,5]C[5])(CH3)3	Si[3,3,5](Si[3,3,5]N[5]2O[3]2)(O[3]Si[3,3,5])2(N[5]C[5]C)2	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>,2|N<3>}	C(N[5]Si[3,3,5]C[5])(CH3)3	Si[3,3,5](Si[3,3,5]N[5]2O[3]2)(O[3]Si[3,3,5])2(N[5]C[5]C)2{2|H<1>,6|C<4>}	133.2430	7.150	2	133.2430	51.126	2	133.2430	51.126	2	133.2430	51.126	2	133.2430	51.126	2	133.2430	51.126	2
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5,5]	4:3:4:	3:4:1:1:	3:3:3:3:	Ga[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	Ga[5,5](N[5]C[5]C)4	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH){1|C<2>,2|C<4>,3|C<3>}	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	Ga[5,5](N[5]C[5]C)4{4|C<3>}	123.7850	0.859	3	123.7850	0.737	3	123.7850	0.737	3	123.7850	0.737	3	123.7850	0.737	3	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	3:4:4:	3:4:4:4:	3:3:3:4:	C[5]-3:Ga[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:C-4:	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3)	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3){1|C<4>,1|H<1>,3|N<3>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3){1|Ga<4>,1|H<1>}	124.8370	0.000	1	124.8370	0.000	1	124.8370	0.000	1	124.8370	0.000	1	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:1:	3:3:3:4:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:O-3:C-4:	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH)	C(N[5]Ga[5]C[5])(CH3)2(H)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3)	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>}	C(N[5]Ga[5]C[5])(CH3)2(H)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3){2|C<3>}	124.3837	1.353	4	124.3837	1.829	4	124.3837	1.829	4	124.3837	1.829	4	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:4:	3:3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:As-3:I-1:	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(AsSi2)(I)	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(AsSi2)(I){2|H<1>}	130.3685	1.276	2	130.3685	1.629	2	130.3685	1.629	2	130.4990	2.041	4	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:4:	3:3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:P-3:I-1:	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(PSi2)(I)	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(PSi2)(I){2|H<1>}	130.6295	2.104	2	130.6295	4.425	2	130.6295	4.425	2	130.4990	2.041	4	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:4:	3:3:3:3:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N[5]-3:N-3:	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](C[5]C[5]N[5])(N[5]C[5]C)2(NSi2)	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](C[5]C[5]N[5])(N[5]C[5]C)2(NSi2){1|Ga<4>,1|C<4>,1|N<3>,3|H<1>}	133.7145	1.290	2	133.7145	1.665	2	133.7145	1.665	2	133.7145	1.665	2	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:4:	3:3:3:4:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:C-4:	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3)	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3){1|Ga<4>,1|H<1>}	131.3680	0.000	1	131.3680	0.000	1	131.3680	0.000	1	131.3680	0.000	1	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:4:	3:3:4:4:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(CH3)2	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5]C[5]C)2(CH3)2{2|H<1>}	126.5535	0.334	2	126.5535	0.112	2	126.5535	0.112	2	126.5535	0.112	2	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP2_SP-NON_SP3	N[5]	C	Ga[5]	4:3:4:	3:4:4:4:	4:3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	Ga[5]-4:N[5]-3:N[5]-3:I-1:	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](Ga[5]N[5]2I)(N[5]C[5]C)2(I)	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|N<3>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](Ga[5]N[5]2I)(N[5]C[5]C)2(I){2|C<3>,2|C<4>,2|H<1>}	131.1515	0.115	2	131.1515	0.013	2	131.1515	0.013	2	131.1515	0.013	2	128.6609	12.961	16	127.8911	14.219	19
542	490	885	0:SP3_SP-NON_SP3	N[5,5]	C	Ga[5,5,6]	4:4:4:	3:4:4:4:	3:4:3:4:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5]-3:C-4:C-4:C-4:	O[5,6,6]-3:N[5,5,6]-4:N[5,5]-3:C-4:	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3)	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<4>,3|O<3>,4|C<4>}	136.1050	0.000	1	136.1050	0.000	1	136.1050	0.000	1	136.1050	0.000	1	136.8005	0.967	2	127.3320	75.063	5
542	490	885	0:SP3_SP-NON_SP3	N[5,5]	C	Ga[5,5,6]	4:4:4:	3:4:4:4:	4:3:3:4:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5]-3:C-4:C-4:C-4:	N[5,5,6]-4:O[5,6]-3:N[5,5]-3:C-4:	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3)	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,3|O<3>,4|C<4>}	137.4960	0.000	1	137.4960	0.000	1	137.4960	0.000	1	137.4960	0.000	1	136.8005	0.967	2	127.3320	75.063	5
542	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5,6]	4:4:4:	3:4:4:4:	3:3:3:4:	N[5,5,6]-4:Ga[5,6]-4:C-4:	N[5]-3:C-4:C-4:C-4:	O[5,6,6]-3:O[5,6]-3:N[5]-3:C-4:	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3)	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	Ga[5,6](O[5,6,6]Ga[5,5,6,6]Ga[5,3x6])(O[5,6]Ga[5,5,6,6]Ga[5])(N[5]N[5,5,6]C)(CH3)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	Ga[5,6](O[5,6,6]Ga[5,5,6,6]Ga[5,3x6])(O[5,6]Ga[5,5,6,6]Ga[5])(N[5]N[5,5,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,2|O<3>,3|N<4>,4|C<4>}	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	127.3320	75.063	5
542	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:	3:4:4:4:	3:3:1:1:	C[5]-4:Ga[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5,6]-3:N[5]-3:I-1:I-1:	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(I)2	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]Ga[5]C[5])(CH3)3	Ga[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(I)2{1|C<4>,2|C<3>,2|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.1170	0.385	2	127.3320	75.063	5
542	490	885	0:SP3_SP-NON_SP3	N[5]	C	Ga[5]	4:4:4:	3:4:4:4:	3:3:3:4:	N[5,5,6]-4:Ga[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	O[5,6]-3:O[5,6]-3:N[5]-3:C-4:	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	C(N[5]N[5,5,6]Ga[5])(CH3)3	Ga[5](O[5,6]Ga[5,5,6,6]Ga[5,6])(O[5,6]Ga[5,5,6]Ga[5,6,6])(N[5]N[5,5,6]C)(CH3)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	C(N[5]N[5,5,6]Ga[5])(CH3)3	Ga[5](O[5,6]Ga[5,5,6,6]Ga[5,6])(O[5,6]Ga[5,5,6]Ga[5,6,6])(N[5]N[5,5,6]C)(CH3){1|Ga<4>,1|H<1>,2|N<3>,2|O<3>,3|N<4>,4|C<4>}	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	121.1170	0.385	2	127.3320	75.063	5
542	490	888	0:SP2_SP2_SP3	N[5]	C	Se[5]	3:3:4:	3:4:4:4:	3:3:1:	Se[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:O-1:	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3){2|C<3>}	C(N[5]Se[5]C[5])(CHHO)(CH3)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1
542	490	891	0:SP2_SP2_SP3	N[5]	C	S[5]	3:2:4:	3:1:1:1:	3:2:	C[5,6a]-3:S[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3)	C(N[5]C[5,6a]S[5])(H)3	S[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]S[5])(H)3	S[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	121.8233	2.117	4	121.8233	2.117	4
542	490	891	0:SP2_SP2_SP3	N[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(S[5]C[5])(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5]O)(S[5]C[5])(CH3){2|H<1>}	C(N[5]C[5]S[5])(H)3	S[5](C[5]C[5]H)(N[5]C[5]C){1|H<1>,1|O<2>}	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	121.8233	2.117	4	121.8233	2.117	4
542	490	891	0:SP2_SP2_SP3	N[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,3|C<3>}	120.7525	0.230	2	120.7525	0.053	2	120.7525	0.053	2	120.7525	0.053	2	121.8233	2.117	4	121.8233	2.117	4
542	490	891	0:SP2_SP3_SP3	N[5]	C	S[5]	3:2:4:	3:4:3:1:	4:3:	C[5]-3:S[5]-2:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]O)(S[5]C[5])(CCCH)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	S[5](C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH){1|N<3>,3|H<1>}	C(N[5]C[5]S[5])(CCCH)(COO)(H)	S[5](C[5]C[5]HH)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>}	119.5630	0.031	2	119.5630	0.001	2	119.5630	0.001	2	119.5630	0.001	2	119.5630	0.001	2	119.5630	0.001	2
542	490	917	0:SP2_SP3_SP3	N[5]	C	P[4,5]	4:3:4:	3:4:4:4:	3:3:3:3:	P[4,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[4]-3:N[4]-3:N[5]-3:	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3)	C(N[5]P[4,5]C[5])(CH3)3	P[4,5](C[5]C[5]C)(N[4]P[4]C)2(N[5]C[5]C)	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>,1|O<2>,1|P<3>,2|C<4>}	C(N[5]P[4,5]C[5])(CH3)3	P[4,5](C[5]C[5]C)(N[4]P[4]C)2(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	129.5900	0.000	1	129.5900	0.000	1	129.5900	0.000	1	129.5900	0.000	1	129.5900	0.000	1	129.5900	0.000	1
542	490	931	0:SP2_SP3_SPD5	N[5]	C	Si[5,5]	5:2:4:	3:1:1:1:	4:4:3:2:2:	Si[5,5]-5:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)	C(N[5]Si[5,5]N[5])(H)3	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	C(N[5]Si[5,5]N[5])(H)3	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	131.8480	0.000	1	131.8480	0.000	1	131.8480	0.000	1	131.8480	0.000	1	132.3940	0.328	3	132.3940	0.328	3
542	490	931	0:SP2_SP3_SPD5	N[5]	C	Si[5,5]	5:4:2:	3:3:1:1:	3:3:2:2:4:	Si[5,5]-5:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	132.9900	0.000	1	132.9900	0.000	1	132.9900	0.000	1	132.9900	0.000	1	132.3940	0.328	3	132.3940	0.328	3
542	490	931	0:SP2_SP3_SPD5	N[5]	C	Si[5,5]	5:4:2:	3:3:2:1:	3:3:2:2:4:	Si[5,5]-5:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-2:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	132.3440	0.000	1	132.3440	0.000	1	132.3440	0.000	1	132.3440	0.000	1	132.3940	0.328	3	132.3940	0.328	3
542	490	939	0:SP3_SP2_SP3	N[5,5]	C	Ge[5,5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	N[5,5]-3:C-4:C-4:C-4:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-3:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C){2|H<1>,5|C<3>}	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH)	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	124.7025	0.037	2	124.7025	0.001	2	124.7025	0.001	2	124.7025	0.001	2	122.6940	5.374	25	122.6940	5.374	25
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	123.1912	0.389	5	123.1912	0.151	5	124.6882	4.457	8	122.7959	7.587	14	122.6940	5.374	25	122.6940	5.374	25
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	127.8630	0.000	1	127.8630	0.000	1	124.6882	4.457	8	122.7959	7.587	14	122.6940	5.374	25	122.6940	5.374	25
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	126.8435	0.136	2	126.8435	0.019	2	124.6882	4.457	8	122.7959	7.587	14	122.6940	5.374	25	122.6940	5.374	25
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2{2|C<3>}	120.2727	0.340	6	120.2727	0.116	6	120.2727	0.116	6	122.7959	7.587	14	122.6940	5.374	25	122.6940	5.374	25
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:4:4:4:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3)	C(N[5]C[5,6a]Ge[5])(CH3)3	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]Ge[5])(CH3)3	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	122.8567	0.165	7	122.8567	0.027	7	122.8567	0.027	7	122.0893	2.355	9	122.6940	5.374	25	122.6940	5.374	25
542	490	946	0:SP2_SP1_SP3	N[5]	C	Ge[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:Ge[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2{2|C<3>}	119.4035	0.353	2	119.4035	0.125	2	119.4035	0.125	2	122.0893	2.355	9	122.6940	5.374	25	122.6940	5.374	25
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,5]	3:4:4:	3:1:1:1:	3:3:3:1:	C[5,6a]-3:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Se){4|C<3>}	124.4570	0.000	1	124.4570	0.000	1	124.4570	0.000	1	124.4570	0.000	1	124.7283	0.563	7	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,5]	3:4:4:	3:1:1:1:	3:3:3:2:	C[5,6a]-3:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]){4|C<3>}	124.0570	0.192	2	124.0570	0.037	2	124.0570	0.037	2	124.0570	0.037	2	124.7283	0.563	7	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,5]	4:4:4:	3:1:1:1:	3:3:3:3:	C[5]-4:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	C(N[5]P[5,5]C[5])(H)3	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	C(N[5]P[5,5]C[5])(H)3	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	125.7350	0.000	1	125.7350	0.000	1	125.7350	0.000	1	125.4490	0.253	3	124.7283	0.563	7	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,5]	4:4:4:	3:1:1:1:	3:3:3:3:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3)	C(N[5]P[5,5]C[5])(H)3	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C(N[5]P[5,5]C[5])(H)3	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	125.3060	0.619	2	125.3060	0.384	2	125.3060	0.384	2	125.4490	0.253	3	124.7283	0.563	7	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,5]	4:4:4:	3:4:4:1:	3:4:3:3:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5,6]-3:Ge[5]-4:N[5]-3:N[5]-3:	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,5]C[5])(CH3)2(H)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5]Rh)(N[5]C[5]C)2	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]P[5,5]C[5])(CH3)2(H)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5]Rh)(N[5]C[5]C)2{3|C<3>,3|C<4>,5|H<1>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	124.7283	0.563	7	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:3:1:1:	3:3:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	P[5,6](N[5]C[5]C)2(N[6]P[6])2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	P[5,6](N[5]C[5]C)2(N[6]P[6])2{4|Cl<1>,1|N<2>,4|H<1>}	123.9092	1.066	5	123.9092	1.136	5	123.9092	1.136	5	123.9092	1.136	5	123.2896	1.430	8	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CH3)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6])	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(CH3)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|H<1>}	122.0490	0.000	1	122.0490	0.000	1	122.0490	0.000	1	122.2570	0.175	3	123.2896	1.430	8	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6])	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|H<1>}	122.3610	0.533	2	122.3610	0.284	2	122.3610	0.284	2	122.2570	0.175	3	123.2896	1.430	8	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	3:4:4:	3:3:1:1:	3:3:3:1:	C[5,6a]-3:P[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH)	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	P[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	P[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(Se){2|H<1>,4|C<3>}	123.1550	0.133	2	123.1550	0.018	2	123.1550	0.018	2	123.1550	0.018	2	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:3:4:	3:3:1:1:	3:3:2:4:	P[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){3|C<3>,4|H<1>}	122.5280	0.000	1	123.2795	1.130	2	123.2795	1.130	2	123.2795	1.130	2	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:3:4:	3:3:1:1:	3:3:2:4:	P[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){2|H<1>,3|C<3>}	124.0310	0.000	1	123.2795	1.130	2	123.2795	1.130	2	123.2795	1.130	2	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:3:4:	3:4:4:1:	3:3:3:1:	P[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-1:	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(O)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH){4|C<3>}	C(N[5]C[5]P[5])(CC3)(CH3)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(O){3|H<1>,5|C<3>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:2:3:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:N-3:O-1:	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(O[5]C[5])(NCC)(O)	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(O[5]C[5])(NCC)(O){1|C<3>,1|C<4>,2|H<1>}	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:3:2:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:O-2:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	C(N[5]C[5,6]P[5])(H)3	P[5](N[5]C[5,6]C)2(NCC)(OSn)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(H)3	P[5](N[5]C[5,6]C)2(NCC)(OSn){2|C<4>,2|H<1>}	124.2320	0.000	1	124.2320	0.000	1	124.2320	0.000	1	125.0023	0.462	3	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:3:2:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:O-2:	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[6a]C[6a]2)(N[5]C[5]C)2(OMn)	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](C[6a]C[6a]2)(N[5]C[5]C)2(OMn){2|C<3>,6|H<1>}	125.3875	0.182	2	125.3875	0.033	2	125.3875	0.033	2	125.0023	0.462	3	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:3:3:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3){6|C<3>}	C(N[5]C[5]P[5])(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){6|C<3>,7|H<1>}	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:4:2:	C[5]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:O-2:	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)2(BMoHH)(OC)	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)2(BMoHH)(OC){4|H<1>}	124.8380	2.021	2	124.8380	4.084	2	124.8380	4.084	2	124.8380	4.084	2	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:4:2:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C-4:O[5]-2:O-1:	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	125.7080	0.000	1	125.7080	0.000	1	125.7080	0.000	1	125.7080	0.000	1	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:2:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|P<3>,3|C<4>,3|H<1>}	125.4730	0.000	1	125.4503	0.856	3	125.4503	0.856	3	125.4503	0.856	3	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:2:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|C<4>,4|H<1>}	125.4390	1.308	2	125.4503	0.856	3	125.4503	0.856	3	125.4503	0.856	3	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:3:1:1:	3:3:2:4:	P[5]-4:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH){2|C<3>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){1|C<4>,2|C<3>,3|H<1>}	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	C(N[5]C[5,6]P[5])(CC3)(H)2	P[5](N[5]C[5,6]C)2(CCHO)(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(CC3)(H)2	P[5](N[5]C[5,6]C)2(CCHO)(O){2|C<4>,2|H<1>}	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:1:	3:3:3:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	C(N[5]C[5,6]P[5])(CH3)2(H)	P[5](N[5]C[5,6]C)2(NCH)(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(CH3)2(H)	P[5](N[5]C[5,6]C)2(NCH)(O){2|C<4>,2|H<1>}	123.6945	2.999	2	123.6945	8.993	2	123.6945	8.993	2	123.6945	8.993	2	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP2_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:4:	3:2:4:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:C-4:O-1:	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	C(N[5]C[5]P[5])(CH3)3	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O)	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	C(N[5]C[5]P[5])(CH3)3	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O){2|C<3>,2|H<1>}	126.8560	1.809	2	126.8560	3.272	2	126.8560	3.272	2	126.8560	3.272	2	124.3293	4.459	22	124.1800	3.221	37
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,5]	3:4:4:	3:1:1:1:	3:3:3:1:	C[5,6a]-3:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Se){4|C<3>}	123.6550	0.000	1	123.6550	0.000	1	123.6550	0.000	1	123.6550	0.000	1	122.9558	2.780	5	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,5]	4:4:4:	3:1:1:1:	3:3:3:3:	C[5]-4:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	C(N[5]P[5,5]C[5])(H)3	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	C(N[5]P[5,5]C[5])(H)3	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	122.9558	2.780	5	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,5]	4:4:4:	3:4:4:1:	3:3:3:3:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5,6]-3:Ge[5]-3:N[5]-3:N[5]-3:	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,5]C[5])(CH3)2(H)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5])(N[5]C[5]C)2	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]P[5,5]C[5])(CH3)2(H)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5])(N[5]C[5]C)2{3|C<3>,3|C<4>,5|H<1>}	121.6485	0.581	2	121.6485	0.337	2	121.6485	0.337	2	121.6485	0.337	2	122.9558	2.780	5	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,5]	4:4:4:	3:4:4:1:	3:4:3:3:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5,6]-3:Ge[5]-4:N[5]-3:N[5]-3:	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,5]C[5])(CH3)2(H)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5]Rh)(N[5]C[5]C)2	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]P[5,5]C[5])(CH3)2(H)	P[5,5](C[5,5,6]C[5,5,6]2)(Ge[5]C[6a]N[5]Rh)(N[5]C[5]C)2{3|C<3>,3|C<4>,5|H<1>}	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	122.9558	2.780	5	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3)	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3){2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5]){2|Cl<1>,1|N<2>,2|O<2>,4|H<1>}	120.5398	1.376	5	120.7659	3.703	9	120.7659	3.703	9	120.7659	3.703	9	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3)	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3){2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5]){3|Cl<1>,1|N<2>,1|O<2>,4|H<1>}	123.0950	2.169	2	120.7659	3.703	9	120.7659	3.703	9	120.7659	3.703	9	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3)	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3){2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5]){4|Cl<1>,1|N<2>,4|H<1>}	119.0020	0.153	2	120.7659	3.703	9	120.7659	3.703	9	120.7659	3.703	9	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:1:1:1:	3:3:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3)	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)2(N[6]P[6])2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(H)3	P[5,6](N[5]C[5]C)2(N[6]P[6])2{4|Cl<1>,1|N<2>,4|H<1>}	121.8480	0.782	2	121.8480	0.612	2	121.8480	0.612	2	121.8480	0.612	2	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:3:1:1:	3:3:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	P[5,6](N[5]C[5]C)2(N[6]P[6])2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	P[5,6](N[5]C[5]C)2(N[6]P[6])2{4|Cl<1>,1|N<2>,4|H<1>}	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CH3)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6])	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(CH3)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|H<1>}	120.9827	1.357	3	120.9827	1.842	3	120.9827	1.842	3	121.1968	1.205	5	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6])	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	P[5,6](N[6]P[5,6])(N[5]C[5]C)2(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|H<1>}	121.5180	0.891	2	121.5180	0.794	2	121.5180	0.794	2	121.1968	1.205	5	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:O[6]-2:O-1:	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CClHH)(H)2	P[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(O)	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH){2|C<4>,2|H<1>}	C(N[5]P[5,6]C[5])(CClHH)(H)2	P[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(O){1|C<4>,8|H<1>}	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CH3)(H)2	P[5,6](N[5]C[5]C)2(N[6]P[6])2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C(N[5]P[5,6]C[5])(CH3)(H)2	P[5,6](N[5]C[5]C)2(N[6]P[6])2{4|Cl<1>,1|N<2>,4|H<1>}	121.4305	2.295	2	121.4305	5.265	2	121.4305	5.265	2	121.4305	5.265	2	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5,6]	4:4:4:	3:4:4:1:	3:3:3:3:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6,6]-3:C[6]-3:N[5]-3:N[5]-3:	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,6]C[5])(CH3)2(H)	P[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]Ge[6]P)(N[5]C[5]C)2	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH){1|Ge<2>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C(N[5]P[5,6]C[5])(CH3)2(H)	P[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]Ge[6]P)(N[5]C[5]C)2{1|N<3>,3|C<4>,5|H<1>}	120.6925	2.316	2	120.6925	5.363	2	120.6925	5.363	2	120.6925	5.363	2	120.9935	2.361	22	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:2:2:4:	C[5]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-2:B-4:	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(O[5]C[5])(OC[5])(BH3)	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3){2|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(O[5]C[5])(OC[5])(BH3){4|H<1>}	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:2:2:	C[5]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:N-2:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)2(NP)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:3:2:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:O-2:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	C(N[5]C[5,6]P[5])(H)3	P[5](N[5]C[5,6]C)2(NCC)(OSn)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(H)3	P[5](N[5]C[5,6]C)2(NCC)(OSn){2|C<4>,2|H<1>}	120.6539	1.639	7	120.6539	2.685	7	120.6539	2.685	7	121.2133	3.249	9	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:3:2:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:O-2:	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[6a]C[6a]2)(N[5]C[5]C)2(OMn)	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](C[6a]C[6a]2)(N[5]C[5]C)2(OMn){2|C<3>,6|H<1>}	123.1715	0.145	2	123.1715	0.021	2	123.1715	0.021	2	121.2133	3.249	9	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:3:3:4:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:B-4:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3)	C(N[5]C[5,6]P[5])(H)3	P[5](C[6a]C[6a]2)(N[5]C[5,6]C)2(BH3)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(H)3	P[5](C[6a]C[6a]2)(N[5]C[5,6]C)2(BH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	118.6213	4.805	4	118.6213	23.086	4	118.6213	23.086	4	118.6213	23.086	4	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	3:4:2:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C-4:O[5]-2:O-1:	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]P[5])(H)3	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	121.4650	0.992	4	121.4650	0.985	4	121.4650	0.985	4	121.4650	0.985	4	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:2:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>,4|C<4>}	118.3965	0.820	2	120.4443	12.917	3	120.4443	12.917	3	120.4443	12.917	3	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:2:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	124.5400	0.000	1	120.4443	12.917	3	120.4443	12.917	3	120.4443	12.917	3	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:3:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	C(N[5]C[5,6]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	C(N[5]C[5,6]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5,6]C)2(O){1|Sn<4>,3|H<1>,4|C<4>}	119.2497	1.017	10	119.5769	1.316	14	119.5769	1.316	14	119.5769	1.316	14	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:3:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	C(N[5]C[5,6]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	C(N[5]C[5,6]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5,6]C)2(O){4|C<4>,4|H<1>}	120.3948	1.163	4	119.5769	1.316	14	119.5769	1.316	14	119.5769	1.316	14	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:1:1:1:	4:3:3:2:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:O-2:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	C(N[5]C[5,6]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5,6]C)2(OSn)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	C(N[5]C[5,6]P[5])(H)3	P[5](C[5]C[5]2Fe)(N[5]C[5,6]C)2(OSn){3|H<1>,4|C<4>}	120.4475	1.057	14	120.4475	1.117	14	120.4475	1.117	14	120.4475	1.117	14	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:3:1:1:	3:2:2:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-2:O-1:	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](N[5]C[5]C)(O[5]C[5])(OC)(O)	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH){1|C<3>,1|C<4>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](N[5]C[5]C)(O[5]C[5])(OC)(O){1|C<3>,1|C<4>,2|H<1>}	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:3:1:1:	3:3:2:2:	C[5]-4:P[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:N-2:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](N[5]C[5]C)2(NP)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH){1|C<4>,2|H<1>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	121.9130	1.503	5	121.9130	2.260	5	121.9130	2.260	5	121.9130	2.260	5	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:3:4:1:	3:3:1:1:	C[5]-4:P[5]-4:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:H-1:O-1:	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	P[5](N[5]C[5]C)2(H)(O)	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH){1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	P[5](N[5]C[5]C)2(H)(O){4|H<1>}	120.6295	1.921	2	120.6295	3.691	2	120.6295	3.691	2	120.6295	3.691	2	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:1:1:	3:3:2:2:	C[5]-4:P[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:N-2:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH)	C(N[5]C[5]P[5])(CH3)(H)2	P[5](N[5]C[5]C)2(NP)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]P[5])(CH3)(H)2	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	117.6185	9.440	2	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:1:1:	3:3:2:2:	C[5]-4:P[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:N-2:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH)	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	P[5](N[5]C[5]C)2(NP)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH){1|C<4>,2|H<1>}	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	117.6185	9.440	2	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:1:1:	3:3:3:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[6a]-3:N[5]-3:O-1:	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]P[5])(CHHN)(H)2	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O)	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<3>}	C(N[5]C[5]P[5])(CHHN)(H)2	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O){1|N<3>,4|C<3>,5|H<1>}	123.5820	0.000	1	123.5820	0.000	1	123.5820	0.000	1	123.5820	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	C(N[5]C[5,6]P[5])(CC3)(H)2	P[5](N[5]C[5,6]C)2(CCHO)(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(CC3)(H)2	P[5](N[5]C[5,6]C)2(CCHO)(O){2|C<4>,2|H<1>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH)	C(N[5]C[5]P[5])(CCHH)(H)2	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH){2|H<1>,6|C<3>}	C(N[5]C[5]P[5])(CCHH)(H)2	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(O){5|C<3>,5|H<1>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:1:	3:3:3:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	C(N[5]C[5,6]P[5])(CH3)2(H)	P[5](N[5]C[5,6]C)2(NCH)(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	C(N[5]C[5,6]P[5])(CH3)2(H)	P[5](N[5]C[5,6]C)2(NCH)(O){2|C<4>,2|H<1>}	119.8535	3.081	6	119.8535	9.490	6	119.8535	9.490	6	119.8000	7.048	8	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:1:	3:3:3:1:	C[5,6]-4:P[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH)	C(N[5]C[5,6]P[5])(CH3)2(H)	P[5](N[5]C[5,6]C)2(N[5]C[5]2)(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C(N[5]C[5,6]P[5])(CH3)2(H)	P[5](N[5]C[5,6]C)2(N[5]C[5]2)(O){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	119.6395	1.348	2	119.6395	1.818	2	119.6395	1.818	2	119.8000	7.048	8	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:4:	3:2:4:1:	C[5]-4:P[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:C-4:O-1:	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	C(N[5]C[5]P[5])(CH3)3	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O)	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	C(N[5]C[5]P[5])(CH3)3	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O){2|C<3>,2|H<1>}	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:4:	3:3:3:3:	P[5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	P[5](C[6a]C[6a]2)2(C[5]C[5]P)(N[5]C[5]C)	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3){1|N<2>,1|P<4>,4|C<3>}	C(N[5]C[5]P[5])(CH3)3	P[5](C[6a]C[6a]2)2(C[5]C[5]P)(N[5]C[5]C){1|N<2>,4|C<3>,6|H<1>}	127.6960	0.000	1	127.6960	0.000	1	127.6960	0.000	1	127.6960	0.000	1	120.6207	5.923	75	120.8156	5.202	102
542	490	955	0:SP3_SP3_SP3	N[5]	C	P[5]	4:4:4:	3:4:4:4:	5:3:3:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[3x3,4,3x5,14x6]-5:N[5]-3:N[5]-3:O-1:	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2(O)	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	C(N[5]C[5]P[5])(CH3)3	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2(O){1|C<5>,5|B<6>,8|H<1>}	125.8115	1.636	2	125.8115	2.675	2	125.8115	2.675	2	125.8115	2.675	2	120.6207	5.923	75	120.8156	5.202	102
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:Cl-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH)	C(N[5]C[5]S[5])(Cl)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH){2|C<3>}	C(N[5]C[5]S[5])(Cl)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.4750	0.000	1	121.4750	0.000	1	121.4750	0.000	1	120.8241	2.300	10	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,3|C<3>}	118.2910	1.820	2	118.2910	3.313	2	120.3037	3.134	6	120.8241	2.300	10	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.0640	0.000	1	121.0640	0.000	1	120.3037	3.134	6	120.8241	2.300	10	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)2{1|O<1>,3|C<3>}	121.3920	0.251	3	121.3920	0.063	3	120.3037	3.134	6	120.8241	2.300	10	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:O-1:	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.8241	2.300	10	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:O-1:	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|O<1>,2|C<3>}	122.0270	0.286	2	122.0270	0.082	2	122.0270	0.082	2	120.8241	2.300	10	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	4:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:O-1:	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)2	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:2:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO)	C(N[5]C[5]S[5])(OC)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO){2|C<3>}	C(N[5]C[5]S[5])(OC)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	120.3720	0.358	2	120.3720	0.128	2	120.3720	0.128	2	121.4320	1.623	4	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:2:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS)	C(N[5]C[5]S[5])(SC)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS){2|C<3>}	C(N[5]C[5]S[5])(SC)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	122.4920	0.498	2	122.4920	0.248	2	122.4920	0.248	2	121.4320	1.623	4	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	122.3070	0.000	1	122.3070	0.000	1	122.3070	0.000	1	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.4073	1.117	3	121.4073	1.248	3	121.4529	0.647	19	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCO)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCO)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.4890	0.000	1	121.4890	0.000	1	121.4529	0.647	19	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CC[6a]O)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.5724	0.936	8	121.5724	0.877	8	121.4529	0.647	19	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CNO)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CNO)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.7160	0.000	1	121.7160	0.000	1	121.4529	0.647	19	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(COO)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(COO)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.2665	0.724	6	121.2665	0.524	6	121.4529	0.647	19	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.6295	0.443	2	121.6295	0.197	2	121.6295	0.197	2	121.5078	0.599	22	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:O-1:O-1:	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H){1|H<1>,2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|O<1>,2|C<3>}	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	119.5685	0.141	2	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH){2|C<3>}	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	119.5685	0.141	2	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:4:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	126.2290	0.000	1	126.2290	0.000	1	121.8910	14.141	3	121.8910	14.141	3	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:3:4:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	119.7220	0.232	2	119.7220	0.054	2	121.8910	14.141	3	121.8910	14.141	3	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:4:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	120.8453	0.534	6	120.8453	0.285	6	120.8361	0.238	7	120.8361	0.238	7	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:4:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	120.7810	0.000	1	120.7810	0.000	1	120.8361	0.238	7	120.8361	0.238	7	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:4:4:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]S[5])(CHHO)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]S[5])(CHHO)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:2:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](N[5]C[5]C)(O[5]C[5])(O)2	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH){2|H<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,3|H<1>}	120.7700	0.000	1	120.7700	0.000	1	120.7700	0.000	1	120.7700	0.000	1	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CCH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C(N[5]C[5]S[5])(CCH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|F<1>,4|C<3>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	119.3560	1.493	2	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|N<3>,2|C<3>,2|H<1>}	120.2200	0.000	1	120.2200	0.000	1	120.2200	0.000	1	119.3560	1.493	2	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP2_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:4:4:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|H<1>,2|C<4>}	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2{1|C<3>,1|C<4>,2|H<1>}	122.4340	0.000	1	122.4340	0.000	1	122.4340	0.000	1	122.4340	0.000	1	121.0916	1.770	54	121.0916	1.770	54
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	3:4:4:	3:1:1:1:	4:3:1:1:	C[5,6a]-3:S[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3)	C(N[5]C[5,6a]S[5])(H)3	S[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]S[5])(H)3	S[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,3|C<3>}	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:1:1:1:	3:3:1:1:	C[5,5]-4:S[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3)	C(N[5]C[5,5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)2	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3){1|I<1>,5|C<3>}	C(N[5]C[5,5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)2{1|H<1>,4|C<3>}	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	119.0950	1.563	2	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:1:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3){4|C<3>}	C(N[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|F<1>,4|C<3>}	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	119.0950	1.563	2	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:1:1:1:	4:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3)	C(N[5]C[5]S[5])(H)3	S[5](C[5]C[5]HH)(N[5]C[5]C)(O)2	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3){2|C<3>,4|H<1>}	C(N[5]C[5]S[5])(H)3	S[5](C[5]C[5]HH)(N[5]C[5]C)(O)2{1|C<3>,3|H<1>}	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CCH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C(N[5]C[5]S[5])(CCH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|F<1>,4|C<3>}	117.1970	0.000	1	117.1970	0.000	1	117.1970	0.000	1	116.2730	3.497	12	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|N<3>,2|C<3>,2|H<1>}	116.3220	0.215	2	116.3220	0.046	2	116.6595	3.331	8	116.2730	3.497	12	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|O<2>,2|C<3>,2|H<1>}	115.2700	0.000	1	115.2700	0.000	1	116.6595	3.331	8	116.2730	3.497	12	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|S<2>,2|C<3>,2|H<1>}	117.0724	2.250	5	117.0724	5.064	5	116.6595	3.331	8	116.2730	3.497	12	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|C<3>,1|C<4>,2|H<1>}	115.9050	1.441	2	115.9050	2.077	2	114.9343	3.865	3	116.2730	3.497	12	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|C<3>,3|H<1>}	112.9930	0.000	1	112.9930	0.000	1	114.9343	3.865	3	116.2730	3.497	12	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	115.7070	0.000	1	115.7070	0.000	1	116.3796	0.917	10	116.3796	0.917	10	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C(N[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|F<1>,4|C<3>}	117.3470	0.000	1	117.3470	0.000	1	116.3796	0.917	10	116.3796	0.917	10	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|N<3>,2|C<3>,2|H<1>}	116.7053	0.533	4	116.7053	0.284	4	116.3796	0.917	10	116.3796	0.917	10	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|S<2>,2|C<3>,2|H<1>}	114.9755	0.346	2	114.9755	0.120	2	116.3796	0.917	10	116.3796	0.917	10	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CN[5]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CN[5]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|S<2>,2|C<3>,2|H<1>}	116.9850	0.891	2	116.9850	0.794	2	116.3796	0.917	10	116.3796	0.917	10	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:4:1:	3:3:1:1:	C[5,5]-4:S[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH)	C(N[5]C[5,5]S[5])(CH3)2(H)	S[5](N[5]C[5,5]C)2(O)2	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH){3|C<3>,3|H<1>}	C(N[5]C[5,5]S[5])(CH3)2(H)	S[5](N[5]C[5,5]C)2(O)2{1|C<3>,1|C<4>,2|H<1>}	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:4:4:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3){2|C<3>}	C(N[5]C[5]S[5])(CH3)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|C<4>,2|C<3>,2|H<1>}	122.3540	0.000	1	122.3540	0.000	1	122.3540	0.000	1	121.6660	2.795	4	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:4:4:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2{1|C<3>,1|C<4>,2|H<1>}	123.4470	0.000	1	123.4470	0.000	1	121.4367	3.877	3	121.6660	2.795	4	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:4:4:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2{1|C<3>,3|H<1>}	119.5120	0.000	1	119.5120	0.000	1	121.4367	3.877	3	121.6660	2.795	4	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	3:4:4:4:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]S[5])(CH3)3	S[5](N[5]C[5]C)2(O)2{1|C<3>,3|H<1>}	121.3510	0.000	1	121.3510	0.000	1	121.4367	3.877	3	121.6660	2.795	4	117.2694	5.964	33	117.2694	5.964	33
542	490	959	0:SP3_SP3_SP3	N[5]	C	S[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:S[5]-4:C-4:	C[3]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	S[5](C[5]C[5]CH)(N[5]C[5]C)(O)2	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH){1|C<4>,3|H<1>}	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	S[5](C[5]C[5]CH)(N[5]C[5]C)(O)2{4|H<1>}	115.8600	0.000	1	115.8600	0.000	1	115.8600	0.000	1	115.8600	0.000	1	117.2694	5.964	33	117.2694	5.964	33
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:2:	C[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5])(N[5]N[5])(CH3){1|Fe<6>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Fe<6>}	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>}	C(N[5]N[5]2)(H)3	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ir<6>,1|C<3>,1|N<3>}	123.1370	0.000	1	122.5660	0.652	2	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>}	C(N[5]N[5]2)(H)3	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ru<6>,1|C<3>,1|N<3>}	121.9950	0.000	1	122.5660	0.652	2	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Cr)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Cr<6>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Cr)(N[5]N[5]C){1|C<4>}	122.7530	0.000	1	122.7530	0.000	1	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Ir)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Ir)(N[5]N[5]C){1|C<4>}	122.2840	0.000	1	122.2985	0.000	2	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Ir)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Ir)(N[5]N[5]C){1|C<4>}	122.3130	0.000	1	122.2985	0.000	2	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Mo)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Mo<9>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]Mo)(N[5]N[5]C){1|C<4>}	122.9930	0.000	1	122.9930	0.000	1	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<4>,1|N<3>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]N)(N[5]N[5]C){1|C<4>}	121.6880	0.000	1	121.8923	0.866	3	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|H<1>,1|N<3>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]N)(N[5]N[5]C){1|H<1>}	121.0810	0.000	1	121.8923	0.866	3	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ni<6>,1|N<2>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]N)(N[5]N[5]C){1|Ni<6>}	122.9080	0.000	1	121.8923	0.866	3	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]S)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<3>,1|S<2>}	C(N[5]N[5]2)(H)3	N[5](C[5]N[5]S)(N[5]N[5]C){1|C<3>}	122.1220	0.000	1	122.1220	0.000	1	122.3274	0.415	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<4>,1|N<3>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|N<3>}	121.9520	0.000	1	121.8422	0.030	5	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Cr<6>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Cr<6>}	122.0460	0.000	1	121.8422	0.030	5	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<4>}	121.6030	0.000	1	121.8422	0.030	5	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<6>}	121.8600	0.000	1	121.8422	0.030	5	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Mo<9>,1|C<4>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Mo<9>}	121.7500	0.000	1	121.8422	0.030	5	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]H)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|H<1>,1|N<3>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]H)(N[5]N[5]C){1|N<3>}	122.2860	0.000	1	122.2860	0.000	1	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]Ir)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]Ir)(N[5]N[5]C){1|C<3>}	121.4860	0.000	1	121.4860	0.000	1	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]Ni)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ni<6>,1|N<2>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]Ni)(N[5]N[5]C){1|N<2>}	122.2180	0.000	1	122.2180	0.000	1	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]Ru)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[5]Ru)(N[5]N[5]C){1|C<3>}	122.2140	0.000	1	122.2140	0.000	1	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	C(N[5]N[5]2)(H)3	N[5](N[5]C[6a]C[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<3>,1|S<2>}	C(N[5]N[5]2)(H)3	N[5](N[5]C[6a]C[5])(N[5]N[5]C){1|S<2>,2|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.9209	0.074	10	122.1242	0.275	20	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](C[5]N[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](C[5]N[5]C)(N[5]N[5]C){1|B<6>}	124.2040	0.000	1	124.2040	0.000	1	123.7720	0.373	2	122.4120	2.920	4	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(COO)(H)2	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Zn<6>,1|C<3>}	C(N[5]N[5]2)(COO)(H)2	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Zn<6>,1|C<3>,1|N<3>}	123.3400	0.000	1	123.3400	0.000	1	123.7720	0.373	2	122.4120	2.920	4	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C){1|B<5>,1|C<4>,4|B<6>}	120.3490	0.000	1	120.3490	0.000	1	121.0520	0.988	2	122.4120	2.920	4	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(COO)(H)2	N[5](N[5]C[5]Zn)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Zn<6>,1|C<3>}	C(N[5]N[5]2)(COO)(H)2	N[5](N[5]C[5]Zn)(N[5]N[5]C){1|C<3>}	121.7550	0.000	1	121.7550	0.000	1	121.0520	0.988	2	122.4120	2.920	4	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	C[5]-2:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5])(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[5])(N[5]N[5])(CCHH){1|C<4>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)(N[5]C[5]){1|C<4>}	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CH3)(H)2	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C(N[5]N[5]2)(CH3)(H)2	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Fe<6>,1|C<3>,1|N<3>}	122.6520	0.540	2	122.6520	0.292	2	122.7153	0.158	3	122.4232	0.231	6	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]H)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Cu<5>,1|H<1>}	C(N[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]H)(N[5]N[5]C){1|Cu<5>}	122.8420	0.000	1	122.8420	0.000	1	122.7153	0.158	3	122.4232	0.231	6	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Cu<5>,1|H<1>}	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|H<1>}	122.5330	0.000	1	122.5330	0.000	1	122.1310	0.163	3	122.4232	0.231	6	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5]Fe)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5]Fe)(N[5]N[5]C){1|C<3>}	121.9300	0.288	2	121.9300	0.083	2	122.1310	0.163	3	122.4232	0.231	6	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:1:	3:2:	N[5]-2:O[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:O[5]-2:	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	N[5](N[5]O[5]C)(O[5]B[5])	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	N[5](N[5]O[5]C)(O[5]B[5]){2|C<3>}	123.7900	0.000	1	123.7900	0.000	1	123.6440	0.043	2	123.6440	0.043	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:1:	3:2:	N[5]-2:O[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:O[5]-2:	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	N[5](N[5]O[5]C)(O[5]B[5])	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	N[5](N[5]O[5]C)(O[5]B[5]){2|C<3>}	123.4980	0.000	1	123.4980	0.000	1	123.6440	0.043	2	123.6440	0.043	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	C[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5])(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5])(N[5]C[5])(CC3){2|C<3>}	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C){3|C<3>}	116.4380	0.000	1	116.4380	0.000	1	116.4380	0.000	1	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<4>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<4>,1|C<3>,1|N<3>}	122.7212	1.398	4	122.7674	2.170	8	122.7674	2.170	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<5>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<5>,1|C<3>,1|N<3>}	121.6840	0.000	1	122.7674	2.170	8	122.7674	2.170	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<6>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<6>,1|C<3>,1|N<3>}	122.2490	1.516	2	122.7674	2.170	8	122.7674	2.170	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Re<6>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Re<6>,1|C<3>,1|N<3>}	125.0720	0.000	1	122.7674	2.170	8	122.7674	2.170	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<4>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|C<3>}	123.0295	1.262	4	123.2136	1.182	7	122.8526	2.055	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<5>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|C<3>}	123.2410	0.000	1	123.2136	1.182	7	122.8526	2.055	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<6>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|C<3>}	123.5680	1.389	2	123.2136	1.182	7	122.8526	2.055	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Re)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Re<6>,1|C<3>}	C(N[5]N[5]2)(CH3)3	N[5](N[5]C[5]Re)(N[5]N[5]C){1|C<3>}	120.3260	0.000	1	120.3260	0.000	1	122.8526	2.055	8	122.4352	4.239	17	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5,6]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3)	C(N[5]C[5,6]N[5])(H)3	N[5](N[5]C[5,6]C)(N[5]N[5,6])	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3){2|C<4>}	C(N[5]C[5,6]N[5])(H)3	N[5](N[5]C[5,6]C)(N[5]N[5,6]){1|C<4>,1|S<2>}	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(C[5]N[5])	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(C[5]N[5]){1|Pt<4>,1|C<4>}	118.6450	0.000	1	118.6450	0.000	1	118.6450	0.000	1	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Ir<6>,1|C<3>}	119.2950	0.000	1	119.2950	0.000	1	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Re<6>,1|C<3>}	121.1317	0.789	3	121.1317	0.623	3	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|B<6>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|B<6>,1|C<4>}	120.4860	0.000	1	120.5508	0.058	6	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|Cu<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Cu<4>,1|C<4>}	120.3610	0.283	2	120.5508	0.058	6	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|C<4>,1|N<3>}	120.6490	0.231	2	120.5508	0.058	6	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|Ru<8>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Ru<8>,1|C<3>}	120.7990	0.000	1	120.5508	0.058	6	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Cr<6>,1|C<4>}	117.2575	0.592	2	117.2575	0.350	2	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CH3){1|Fe<6>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Fe<6>,1|H<1>}	121.2419	0.474	17	121.2603	0.218	18	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CH3){1|Zn<6>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Zn<6>,1|H<1>}	121.5720	0.000	1	121.2603	0.218	18	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Ir<6>,1|C<4>}	119.8370	0.124	2	119.8370	0.015	2	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|C<4>,1|N<3>}	121.7570	0.605	2	121.6791	0.653	9	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|H<1>,1|N<3>}	121.7080	0.000	1	121.6791	0.653	9	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|N<2>,1|N<3>}	121.5090	0.000	1	121.6791	0.653	9	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){2|N<3>}	121.6762	1.097	5	121.6791	0.653	9	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]Rh)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]Rh)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]){1|Rh<6>,1|C<4>}	119.5080	0.027	2	119.5080	0.001	2	120.8604	1.302	43	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:	N[5](C[5]C[5]H)(N[5]O[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]H)(N[5]O[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<3>}	117.8045	0.303	4	117.8045	0.092	4	117.8045	0.092	4	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:Se[5]-2:	N[5](C[5]C[5]C)(N[5]Se[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(Se[5]C[5])	N[5](C[5]C[5]C)(N[5]Se[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(Se[5]C[5]){2|C<4>}	115.8077	1.324	3	115.8077	1.753	3	115.8077	1.753	3	120.3053	3.173	52	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](N[5]C[5,6a]B)(N[5]C[5,6a]C){2|C<3>}	120.0300	0.000	1	120.0300	0.000	1	119.6907	1.266	10	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](N[5]C[5,6a]C)2{2|C<3>}	119.6530	1.186	9	119.6530	1.408	9	119.6907	1.266	10	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C)(N[5]C[5]C)	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C)(N[5]C[5]C){1|O<1>,2|C<3>}	119.5100	0.595	2	119.5100	0.354	2	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>}	118.7465	0.766	2	119.2304	0.483	5	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<1>}	120.1670	0.000	1	119.2304	0.483	5	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	119.2460	0.000	2	119.2304	0.483	5	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]N)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|N<2>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]N)(N[5]C[5]C){1|N<2>,1|O<1>}	120.2470	0.000	1	120.2470	0.000	1	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]P[5])(N[5]C[5]C)	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]P[5])(N[5]C[5]C){3|C<3>}	115.4250	0.000	1	115.4250	0.000	1	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]B)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]B)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|B<4>,1|C<4>}	118.8640	0.000	1	118.8640	0.000	1	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Fe)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Fe)(N[5]C[5])(CH3){1|H<1>,1|N<2>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Fe<6>,1|N<2>}	117.1270	0.310	2	117.1270	0.096	2	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	120.7080	0.000	1	120.7605	0.187	12	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	119.7450	0.000	1	120.7605	0.187	12	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	120.8488	0.091	6	120.7605	0.187	12	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|Ru<6>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ru<6>,1|H<1>}	121.0617	0.517	3	120.7605	0.187	12	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	120.3950	0.000	1	120.7605	0.187	12	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Ir)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Ir)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ir<6>,1|C<4>}	119.0535	0.234	4	119.0535	0.055	4	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Mg)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Mg)(N[5]C[5])(CH3){1|Mg<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){2|Mg<4>}	117.7420	0.000	1	117.7420	0.000	1	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	119.3880	0.201	3	119.2558	0.097	4	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|N<3>}	118.8590	0.000	1	119.2558	0.097	4	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pt<4>,1|C<4>}	118.7750	0.000	1	118.7750	0.000	1	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|C<4>}	117.7460	0.700	2	117.9531	1.361	15	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<5>,1|N<3>}	116.6675	0.685	4	117.9531	1.361	15	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|N<3>}	118.5704	0.937	9	117.9531	1.361	15	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Ru)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Ru)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ru<9>,1|N<3>}	116.8625	0.049	2	116.8625	0.002	2	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	120.2070	0.000	1	120.2070	0.000	1	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C){1|N<3>,1|S<1>}	120.1995	0.210	2	120.1995	0.044	2	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]H)(N[5]C[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]N)(N[5]C[5]C){1|H<1>}	116.7660	0.382	2	116.7660	0.146	2	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]S)(N[5]C[5]C)	N[5](C[5]S[5]S)(N[5]C[5])(CH3){1|S<2>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]S)(N[5]C[5]C){1|S<1>}	117.4475	0.408	2	117.4475	0.166	2	118.8775	2.270	58	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|H<1>,3|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|H<1>,3|C<4>}	118.3620	0.000	1	117.7930	0.933	4	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Pd<4>,3|C<4>}	117.6033	1.088	3	117.7930	0.933	4	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	119.6810	0.000	1	118.6824	0.357	14	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Cu<2>,1|C<3>}	118.4170	0.238	2	118.6824	0.357	14	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	118.3710	0.000	1	118.6824	0.357	14	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	118.6536	0.270	5	118.6824	0.357	14	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Mn<5>,1|C<3>}	118.0473	0.072	3	118.6824	0.357	14	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Rh<6>,1|C<3>}	119.6290	0.216	2	118.6824	0.357	14	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<2>,1|C<3>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){3|C<3>}	117.0215	0.544	2	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	118.2885	0.426	2	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	117.9890	0.000	1	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	117.5640	0.000	1	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	117.2300	0.106	2	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Mn<5>,3|C<3>}	117.8410	0.000	1	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	117.0385	0.155	2	117.5046	0.315	11	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|H<1>,3|C<4>}	119.0710	0.000	1	118.4983	0.381	3	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Pd<4>,3|C<4>}	118.2120	0.520	2	118.4983	0.381	3	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	118.7070	0.737	5	118.5216	1.622	30	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	119.2034	0.381	11	118.5216	1.622	30	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<4>}	118.2334	0.724	10	118.5216	1.622	30	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	116.6600	3.329	3	118.5216	1.622	30	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<5>,1|C<4>}	118.5620	0.000	1	118.5216	1.622	30	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|Ru<9>,1|N<3>,2|C<3>}	116.4650	0.000	1	116.4650	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	118.5453	0.342	3	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	118.2364	1.066	5	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,1|C<4>,2|C<3>}	117.6357	0.141	3	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<7>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<7>,1|C<4>,2|C<3>}	118.1420	0.000	1	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<2>,2|C<3>}	116.6980	0.000	1	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>}	117.9404	0.508	7	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>}	118.8660	0.000	1	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,1|C<4>,2|C<3>}	118.3410	0.534	4	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<7>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<7>,1|C<4>,2|C<3>}	118.7070	0.000	1	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<8>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,1|C<4>,2|C<3>}	118.1893	0.139	4	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	119.0600	0.000	1	118.1581	0.427	31	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	115.2437	2.526	3	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<2>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	118.2337	1.190	3	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ni<7>,1|C<3>}	119.0810	0.000	1	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	118.7535	0.919	2	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|O<2>,3|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	115.3780	0.156	2	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ru<6>,1|C<3>}	118.0170	0.000	1	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	118.4457	0.120	3	117.4087	3.632	15	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|H<1>,3|C<3>}	116.8240	0.000	1	116.8240	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ir<8>,3|C<3>}	118.2175	0.117	4	117.7064	0.553	10	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	117.1585	0.945	4	117.7064	0.553	10	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Re<6>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Re<6>,3|C<3>}	117.7920	0.000	1	117.7064	0.553	10	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	117.7680	0.000	1	117.7064	0.553	10	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]C[5]N){2|H<1>}	119.7524	0.545	5	119.7524	0.297	5	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	119.2608	0.219	8	119.3090	0.046	12	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{2|H<1>}	119.5380	0.000	2	119.3090	0.046	12	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CH3){2|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	119.2730	0.222	2	119.3090	0.046	12	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<3>,1|H<1>}	119.0525	0.514	6	119.0525	0.264	6	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<3>,1|H<1>}	118.7290	0.000	1	118.7290	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|H<1>}	120.0770	0.000	1	120.0770	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<2>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<2>,1|H<1>,2|C<3>}	118.9220	0.000	1	119.5445	0.775	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	120.1670	0.000	1	119.5445	0.775	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	116.8343	1.178	3	116.8343	1.388	3	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	120.0680	0.000	1	119.0590	2.036	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,1|N<3>,2|C<3>}	118.0500	0.000	1	119.0590	2.036	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|Ru<9>,1|C<3>,1|N<3>,1|O<2>}	120.3710	0.387	2	120.3710	0.150	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	117.8770	0.157	2	117.8770	0.025	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ru<6>,1|C<3>}	115.8910	0.000	1	117.0315	2.601	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	118.1720	0.000	1	117.0315	2.601	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,1|H<1>,2|C<3>}	116.4975	0.151	2	116.4975	0.023	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Cu<2>,1|C<3>,2|C<4>}	118.1660	0.000	1	118.3955	0.105	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]2)(N[5]C[5]C){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	118.6250	0.000	1	118.3955	0.105	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	117.9135	0.274	2	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	117.0434	0.927	9	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	117.9398	1.191	8	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<4>,1|C<3>}	118.3050	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<6>,1|C<3>}	118.7880	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	118.3515	0.156	2	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ni<4>,1|C<3>}	117.2610	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ni<7>,1|C<3>}	118.4315	0.186	2	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Os<9>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Os<9>,1|C<3>}	120.0840	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	117.6485	0.245	2	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	117.0968	0.963	20	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Pt<4>,1|C<3>}	117.8700	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ru<5>,1|C<3>}	118.0030	0.888	2	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	117.8798	0.641	9	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Se<1>,1|C<3>}	117.5740	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2{1|Se<2>,1|C<3>}	117.2160	0.000	1	117.5803	0.961	63	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C[6])(N[5]C[5]C){1|Ru<9>,1|N<3>,2|C<3>}	117.8830	0.000	1	117.8830	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Cu<2>,3|C<3>}	117.6750	1.095	4	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	117.8873	1.199	3	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|I<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|I<1>,3|C<3>}	118.1675	0.207	2	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Mo<5>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Mo<5>,3|C<3>}	114.8740	0.000	1	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<4>,3|C<3>}	117.2687	0.720	3	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ni<7>,3|C<3>}	118.9630	0.000	1	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	117.0999	1.011	7	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<6>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<6>,3|C<3>}	117.3730	0.817	2	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<8>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Rh<8>,3|C<3>}	117.4260	0.000	1	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<6>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<6>,3|C<3>}	117.3280	0.000	1	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Ru<9>,3|C<3>}	117.7186	0.227	5	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|S<1>,3|C<3>}	117.6760	0.000	1	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|S<2>,3|C<3>}	116.5645	1.194	2	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Se<1>,3|C<3>}	116.1780	0.000	1	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Se<2>,3|C<3>}	116.7030	0.064	2	117.3478	0.916	36	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]N[5]Re)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]N[5]Re)(N[5]C[5]C){1|C<3>}	118.5070	0.000	1	118.5070	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]N)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]N){1|C<4>}	120.9600	0.000	1	120.9600	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Cr<6>}	118.3990	0.000	1	118.3990	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<4>}	119.1690	0.000	1	119.4165	0.123	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<6>}	119.6640	0.000	1	119.4165	0.123	2	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]Mo)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](C[5]N[5]Mo)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|Mo<9>}	118.3550	0.000	1	118.3550	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]C){1|N<3>}	121.2810	0.000	1	121.2810	0.000	1	118.0251	1.440	269	118.2212	1.737	337	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	120.7200	0.000	1	120.7200	0.000	1	120.6350	0.014	2	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C){2|C<3>}	120.5500	0.000	1	120.5500	0.000	1	120.6350	0.014	2	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CC)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	118.7985	0.991	2	118.7985	0.981	2	118.7985	0.981	2	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<4>,1|H<1>}	119.0533	0.183	3	119.0533	0.033	3	118.5333	1.560	7	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pt<4>,1|C<4>}	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](N[5]C[5]Pt)(N[5]C[5]C){1|C<4>,1|H<1>}	116.9045	1.033	2	116.9045	1.067	2	118.5333	1.560	7	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:S-2:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<4>,1|H<1>}	119.3820	0.816	2	119.3820	0.666	2	118.5333	1.560	7	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:Se-2:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH)	C(N[5]C[5]N[5])(SeC[6a])(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(SeC[6a])(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<4>,1|H<1>}	119.5270	1.592	2	119.5270	2.536	2	119.5270	2.536	2	119.0503	1.697	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|Fe<6>,1|H<1>}	120.3607	0.194	4	120.3607	0.038	4	120.7120	0.645	5	120.7120	0.645	5	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|H<1>,1|N<2>}	122.1170	0.000	1	122.1170	0.000	1	120.7120	0.645	5	120.7120	0.645	5	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CCH)(H)2	N[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CCH)(H)2	N[5](N[5]C[5,6a]C)2{2|C<3>}	119.7900	0.000	1	119.7900	0.000	1	120.4472	0.971	9	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	N[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	N[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C){2|C<3>}	119.2850	0.253	2	119.2850	0.064	2	120.4472	0.971	9	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Co<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C){2|C<3>}	121.3630	0.000	1	121.3630	0.000	1	120.4472	0.971	9	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C){2|C<3>}	121.3855	0.754	2	121.3855	0.569	2	120.4472	0.971	9	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Ni<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C){2|C<3>}	121.2730	0.000	1	121.2730	0.000	1	120.4472	0.971	9	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C){2|C<3>}	120.1290	0.718	2	120.1290	0.516	2	120.4472	0.971	9	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Pd<4>,1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<3>,1|H<1>}	119.2700	0.000	1	119.2700	0.000	1	118.2800	1.960	2	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	117.2900	0.000	1	117.2900	0.000	1	118.2800	1.960	2	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	120.2170	0.000	1	120.2170	0.000	1	121.2245	2.030	2	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]N[5]N)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,1|N<2>}	122.2320	0.000	1	122.2320	0.000	1	121.2245	2.030	2	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	120.4410	0.000	1	120.4410	0.000	1	119.7520	0.949	2	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<3>,1|H<1>}	119.0630	0.000	1	119.0630	0.000	1	119.7520	0.949	2	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<3>,1|H<1>}	118.4670	0.804	3	118.4670	0.646	3	118.5957	0.497	4	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Zn<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C){1|C<4>,1|H<1>}	118.9820	0.000	1	118.9820	0.000	1	118.5957	0.497	4	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(NC[6a]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	120.1385	0.308	2	120.1385	0.095	2	120.3803	0.168	4	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(CHHN)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	N[5](C[5]C[3x6]O[5])(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CHHN){1|C<4>}	C(N[5]C[5]N[5])(NC[6a]H)(H)2	N[5](C[5]C[3x6]O[5])(N[5]C[5]C){1|S<1>,3|C<4>}	120.6220	0.419	2	120.6220	0.175	2	120.3803	0.168	4	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	121.1710	0.526	2	121.1710	0.277	2	120.9952	1.629	5	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	118.8560	0.000	1	118.8560	0.000	1	120.9952	1.629	5	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pt)(N[5]C[5])(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pt)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pt<4>,1|C<4>}	121.8890	0.057	2	121.8890	0.003	2	120.9952	1.629	5	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Cu)(N[5]N[5])(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]Cu)(N[5]N[5])(CN[5]HH){2|C<3>}	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|Cu<2>,3|C<3>}	117.2270	0.590	4	117.2270	0.349	4	117.2270	0.349	4	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|C<3>,1|S<1>,3|C<4>}	120.0625	0.685	4	119.9275	0.734	12	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,3|C<4>}	119.1983	1.269	3	119.9275	0.734	12	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]N[5])(N[5]C[5]C){1|S<1>,4|C<4>}	120.2570	0.554	5	119.9275	0.734	12	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	119.2540	0.000	1	119.9227	0.375	3	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,2|C<3>}	120.2570	0.283	2	119.9227	0.375	3	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	119.5280	1.332	4	119.5280	1.775	4	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]O[5])(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[3x6]O[5])(N[5]C[5]C){1|S<1>,3|C<4>}	119.5260	0.000	1	119.5260	0.000	1	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<3>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|S<1>,2|C<3>}	120.6130	0.000	1	120.6130	0.000	1	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]C)(N[5]C[5]C)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]C)(N[5]C[5]C){1|S<1>}	120.1440	0.211	2	120.1440	0.044	2	119.8886	0.705	23	119.8139	1.688	55	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]Cu)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]Cu)(N[5]N[5])(CCHH){1|Cu<5>}	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){2|Cu<5>}	119.5720	0.113	2	119.5720	0.013	2	121.5993	1.108	51	121.5993	1.108	51	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|Fe<6>,1|H<1>}	121.6384	0.710	9	121.6384	0.504	9	121.5993	1.108	51	121.5993	1.108	51	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|Fe<6>,1|H<1>}	121.6499	1.031	33	121.6472	1.032	34	121.5993	1.108	51	121.5993	1.108	51	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Zn<6>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|Zn<6>,1|H<1>}	121.5600	0.000	1	121.6472	1.032	34	121.5993	1.108	51	121.5993	1.108	51	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Co<6>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|Co<6>,1|H<1>}	122.4042	1.118	4	122.4042	1.249	4	121.5993	1.108	51	121.5993	1.108	51	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|H<1>,1|N<2>}	121.0260	1.410	2	121.0260	1.988	2	121.5993	1.108	51	121.5993	1.108	51	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CHHP)(H)2	N[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CHHP)(H)2	N[5](N[5]C[5,6a]C)2{2|C<3>}	119.1370	0.709	2	119.1370	0.502	2	119.1370	0.502	2	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:B-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CBHH)	C(N[5]C[5]N[5])(BF3)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CBHH){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(BF3)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<3>,1|H<1>}	119.9550	0.355	2	119.9550	0.126	2	119.9550	0.126	2	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C){2|C<3>,2|H<1>}	118.9470	0.000	1	118.9470	0.000	1	119.2165	0.145	2	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|S<1>,2|C<3>}	119.4860	0.000	1	119.4860	0.000	1	119.2165	0.145	2	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<1>}	119.9565	0.118	2	119.4157	0.884	3	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	118.3340	0.000	1	119.4157	0.884	3	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	119.5840	0.000	1	119.5840	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	119.6050	0.000	1	119.6050	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C){1|Ir<6>,1|C<3>}	116.8910	0.000	1	116.8910	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Fe<6>,1|N<2>}	118.0205	0.231	2	118.0205	0.053	2	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CBrHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CBrHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|H<1>,1|N<3>}	120.6630	0.000	1	120.6630	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCCO)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	C(N[5]C[5]N[5])(CCCO)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<6>,1|H<1>}	119.5550	0.943	2	119.5550	0.890	2	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	121.4330	0.000	1	120.7017	0.966	9	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cd<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cd<6>,1|H<1>}	120.9660	1.913	2	120.7017	0.966	9	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<6>,1|H<1>}	120.7280	1.624	2	120.7017	0.966	9	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Mn<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Mn<6>,1|H<1>}	120.2935	0.404	2	120.7017	0.966	9	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ni<6>,1|H<1>}	120.4535	0.373	2	120.7017	0.966	9	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ru<9>,1|H<1>}	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ru<9>,1|H<1>}	121.3165	0.636	2	120.9656	0.691	5	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	120.7317	0.988	3	120.9656	0.691	5	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	120.7530	0.000	1	119.9800	1.195	2	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	119.2070	0.000	1	119.9800	1.195	2	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Zn<4>,1|H<1>}	120.7705	0.627	2	120.7705	0.393	2	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(COPP)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	C(N[5]C[5]N[5])(COPP)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	121.0650	0.000	1	121.0650	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]P)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]P)(N[5]C[5])(CCHH){1|Cu<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<4>,1|P<4>}	119.5520	0.000	1	119.5520	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	117.9620	0.923	3	117.9620	0.851	3	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|N<3>}	118.3590	0.000	1	118.3590	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHS)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CCHS)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Rh<6>,1|N<3>}	118.8680	0.000	1	118.8680	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|H<1>,1|S<1>,2|C<3>}	120.2190	0.000	1	120.2190	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	119.8300	0.000	1	119.8300	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]S[5]S)(N[5]C[5])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]S[5]H)(N[5]C[5]C){1|S<2>}	117.1910	0.000	1	117.1910	0.000	1	119.7886	1.854	39	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	117.7200	0.000	1	117.7200	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH){1|Pd<4>,1|O<2>,3|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	117.1020	1.551	2	117.1020	2.407	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	117.2280	0.000	1	118.9040	1.310	13	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{2|H<1>}	119.0400	1.138	10	118.9040	1.310	13	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	119.0620	1.008	2	118.9040	1.310	13	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<3>,1|H<1>}	119.5946	0.993	5	119.5946	0.986	5	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<3>,1|H<1>}	119.1025	1.456	2	119.1025	2.120	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Os)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Os<9>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Os)(N[5]C[5]C){1|C<3>,1|H<1>}	120.9575	0.264	2	120.9575	0.070	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<3>,1|H<1>}	120.6260	0.000	1	120.6260	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pt<4>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Pt)(N[5]C[5]C){1|C<3>,1|H<1>}	120.9620	0.000	1	120.9620	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|H<1>}	119.7960	0.000	1	119.7960	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<3>,1|H<1>}	120.5575	0.565	2	120.5575	0.319	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C){1|C<4>,1|H<1>}	120.5170	0.164	2	120.5170	0.027	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CC[5]CH)(H)2	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<3>,1|H<1>}	119.1865	3.224	2	119.1865	10.392	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<3>,1|H<1>}	119.1775	0.445	2	119.1775	0.198	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	119.1520	0.000	1	118.9435	2.819	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{2|H<1>}	118.9065	2.897	2	118.9435	2.819	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	118.8090	0.000	1	118.9435	2.819	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|H<1>}	119.2994	0.607	5	119.2994	0.369	5	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Cu<5>,1|C<3>}	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C){1|C<3>,1|H<1>}	118.0570	0.000	1	118.0570	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	117.4170	1.456	4	119.5608	24.570	5	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]C)2{2|H<1>}	128.1360	0.000	1	119.5608	24.570	5	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<3>,1|H<1>}	118.5260	0.000	1	118.5260	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	119.3450	0.836	2	119.3450	0.699	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<3>,1|H<1>}	120.6380	2.357	2	120.6380	5.558	2	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C){1|C<4>,1|H<1>}	121.0480	0.000	1	121.0480	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[6]HH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[6]HH)(H)2	N[5](N[5]C[5]C)2{2|H<1>}	129.5900	0.000	1	129.5900	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]I)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]I)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	119.1513	1.724	3	119.1513	2.971	3	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Ir<4>,1|C<3>}	117.3690	0.000	1	116.3753	1.918	19	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	116.8632	1.756	8	116.3753	1.918	19	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<4>}	115.8856	0.922	10	116.3753	1.918	19	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]C)2{1|Ir<6>,1|C<3>}	109.8560	0.000	1	109.8560	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Mn<5>,1|C<3>}	115.3610	0.000	1	115.3610	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|Ni<4>,1|C<3>}	117.4980	0.000	1	116.9420	0.323	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|Ni<7>,1|C<3>}	116.7567	0.528	3	116.9420	0.323	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	118.8363	0.377	3	118.3850	0.910	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	117.0310	0.000	1	118.3850	0.910	4	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	118.4190	0.948	7	118.5836	0.988	8	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	119.7360	0.000	1	118.5836	0.988	8	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Pt<4>,1|C<3>}	117.4620	0.000	1	117.4620	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	116.6810	0.000	1	116.6810	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)(N[5]N[5]O)	N[5](C[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]C)(N[5]N[5]O){1|C<4>}	122.1110	0.000	1	122.1110	0.000	1	118.5478	6.054	101	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	119.9740	0.965	4	119.9740	0.931	4	119.9740	0.931	4	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6]-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH)	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:P-4:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CHHP)	C(N[5]C[5]N[5])(PPdCC)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CHHP){2|C<4>}	C(N[5]C[5]N[5])(PPdCC)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	124.0210	0.000	1	124.0210	0.000	1	124.0210	0.000	1	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH)	C(N[5]N[5]2)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]N[5]2)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C){1|Cu<4>,1|H<1>,2|C<3>}	120.5505	0.118	2	120.5505	0.014	2	120.5505	0.014	2	119.0109	4.993	154	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:2:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]C)(N[5]N[5])(CCHO)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(CCHO){1|Ru<8>}	C(N[5]C[5]N[5])(CHHO)(OC)(H)	N[5](N[5]C[5]C)(N[5]N[5]){1|Ru<8>,1|C<3>}	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-2:	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)(C[5]N[5])	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)(C[5]N[5]){1|Pd<4>,1|C<4>}	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	119.0722	0.058	5	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:O[5]-2:	N[5](C[5]C[5]S)(N[5]O[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]S)(N[5]O[5])(CCCH){1|N<2>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)(O[5]C[5]){1|N<2>,1|S<2>}	119.1063	0.263	4	119.1063	0.069	4	119.1063	0.069	4	119.0722	0.058	5	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	119.8833	1.102	3	119.8833	1.214	3	119.5150	1.105	22	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ni<4>,1|C<4>}	119.5490	0.000	1	119.5490	0.000	1	119.5150	1.105	22	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	119.4517	1.093	18	119.4517	1.195	18	119.5150	1.105	22	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	118.7517	0.098	3	118.7517	0.010	3	118.6692	5.030	9	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	121.0965	0.511	2	121.0965	0.261	2	118.6692	5.030	9	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)2{1|Mn<5>,1|C<3>}	115.0835	0.549	2	115.0835	0.302	2	118.6692	5.030	9	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	119.7020	0.000	1	119.7020	0.000	1	118.6692	5.030	9	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:1:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	119.7060	0.000	1	119.7060	0.000	1	118.6692	5.030	9	119.2694	2.268	31	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:	N[5](C[5]N[5]S)(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(CC3){1|B<4>}	C(N[5]C[5]N[5])(CH3)3	N[5](N[5]C[5]C)(N[5]N[5]){1|B<4>,1|S<2>}	120.9035	0.603	2	120.9035	0.364	2	120.9035	0.364	2	120.9035	0.364	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>}	120.3030	0.000	1	120.3030	0.000	1	116.9583	4.942	11	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CC3){2|C<3>}	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|H<1>,3|C<3>}	119.4260	0.641	2	119.4260	0.410	2	116.9583	4.942	11	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CC3){2|C<3>}	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	116.0384	1.794	5	116.0384	3.217	5	116.9583	4.942	11	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3){2|C<3>}	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Rh<4>,3|C<3>}	115.3695	1.800	2	115.7313	2.012	3	116.9583	4.942	11	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3){2|C<3>}	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Rh<5>,3|C<3>}	116.4550	0.000	1	115.7313	2.012	3	116.9583	4.942	11	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Re)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3){2|Re<6>,2|C<3>}	C(N[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Re)(N[5]C[5]C){1|Re<6>,1|C<3>}	120.1100	0.000	1	120.1100	0.000	1	123.1935	19.016	2	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Cu)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]N[5])(CC3){2|Cu<6>}	C(N[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Cu)(N[5]C[5]C){1|Cu<6>,1|H<1>}	126.2770	0.000	1	126.2770	0.000	1	123.1935	19.016	2	117.9175	11.185	13	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	4:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|Zn<4>,1|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Zn<4>,1|H<1>}	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:2:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5a]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5](N[5]C[5]C)(N[5]N[5])	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5]){1|H<1>}	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5](N[5]C[5]C)(N[5]N[5]){1|H<1>,1|N<2>}	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5,6]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5])	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5,6]H)(N[5]C[5,6]C)	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5]){1|H<1>,2|C<4>}	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5,6]H)(N[5]C[5,6]C){1|C<4>,1|S<2>}	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5,6a]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	119.8363	0.273	3	119.8363	0.074	3	119.8363	0.074	3	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<3>,1|H<1>}	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[3,5]C)(N[5]C[5]C)	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[3,5]C)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>}	119.4040	0.000	1	119.4040	0.000	1	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<3>,1|H<1>}	120.7585	0.056	2	119.7240	4.042	12	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	120.1020	0.000	1	119.7240	4.042	12	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cd<6>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cd<6>,1|H<1>}	120.8620	1.327	2	119.7240	4.042	12	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<2>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<2>,1|H<1>}	115.5370	0.000	2	119.7240	4.042	12	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<5>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<5>,1|H<1>}	120.5270	0.000	1	119.7240	4.042	12	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<6>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Cu<6>,1|H<1>}	120.4360	0.178	4	119.7240	4.042	12	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	122.9670	0.000	1	122.9670	0.000	1	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5]){2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|S<1>,3|C<3>}	121.2340	0.000	1	121.2340	0.000	1	120.0195	4.004	15	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	116.8050	0.000	1	116.8050	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|Fe<10>,1|Pd<4>,1|P<4>,2|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<4>,1|P<4>}	116.9150	0.000	1	116.9150	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,3|C<3>}	118.0930	0.000	1	118.0930	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	116.7060	0.000	1	116.7060	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	117.9790	0.000	1	117.9790	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Cu)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Cu)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Cu<2>,1|C<3>}	118.4325	0.162	2	118.4325	0.026	2	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	118.7570	0.000	1	119.1784	0.333	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){2|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|C<4>,1|H<1>}	119.2487	0.598	6	119.1784	0.333	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Co)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Co)(N[5]C[5]C){1|C<4>,1|H<1>}	119.6965	0.250	6	119.3979	0.263	9	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Co)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Co)(N[5]C[5]C){1|C<4>,1|H<1>}	118.8007	0.308	3	119.3979	0.263	9	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C){1|C<3>,1|H<1>}	119.5356	0.453	7	119.6439	1.024	20	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C){1|C<3>,1|H<1>}	119.0900	2.446	3	119.6439	1.024	20	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(N[5]C[5]C){1|C<4>,1|H<1>}	119.8859	0.720	10	119.6439	1.024	20	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<4>,1|H<1>}	119.1890	0.000	1	119.2470	0.625	14	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<3>,1|H<1>}	119.2755	0.474	4	119.2470	0.625	14	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(N[5]C[5]C){1|C<4>,1|H<1>}	119.2408	0.964	9	119.2470	0.625	14	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<4>,1|H<1>}	119.6290	0.000	1	119.7167	0.261	18	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<3>,1|H<1>}	119.8005	0.541	13	119.7167	0.261	18	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<4>,1|H<1>}	119.6130	0.000	1	119.7167	0.261	18	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(N[5]C[5]C){1|C<4>,1|H<1>}	119.4173	0.526	3	119.7167	0.261	18	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Li)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Li<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Li)(N[5]C[5]C){1|C<4>,1|H<1>}	119.9260	0.000	1	119.9260	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(N[5]C[5]C){1|C<3>,1|H<1>}	119.9900	0.503	6	119.6397	0.547	10	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(N[5]C[5]C){1|C<4>,1|H<1>}	119.1142	0.779	4	119.6397	0.547	10	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Os)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Os<9>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Os)(N[5]C[5]C){1|C<3>,1|H<1>}	120.4720	0.000	1	120.4720	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<3>,1|H<1>}	119.1527	0.727	8	119.2306	0.528	13	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(N[5]C[5]C){1|C<4>,1|H<1>}	119.3552	0.792	5	119.2306	0.528	13	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pt<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pt)(N[5]C[5]C){1|C<3>,1|H<1>}	119.2667	1.011	7	119.2667	1.021	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|H<1>}	119.0943	0.393	6	118.9683	0.240	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Re)(N[5]C[5]C){1|C<4>,1|H<1>}	118.2120	0.000	1	118.9683	0.240	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C){1|C<4>,1|H<1>}	119.4270	0.000	1	119.3529	0.202	11	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C){1|C<4>,1|H<1>}	119.2717	0.476	6	119.3529	0.202	11	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C){1|C<3>,1|H<1>}	119.6300	0.000	1	119.3529	0.202	11	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Rh)(N[5]C[5]C){1|C<4>,1|H<1>}	119.3983	0.618	3	119.3529	0.202	11	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<3>,1|H<1>}	120.0066	0.906	7	119.6408	0.907	16	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<4>,1|H<1>}	119.5777	1.496	3	119.6408	0.907	16	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<3>,1|H<1>}	119.4557	0.768	4	119.6408	0.907	16	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(N[5]C[5]C){1|C<4>,1|H<1>}	118.8255	0.144	2	119.6408	0.907	16	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C){1|C<3>,1|H<1>}	119.7715	0.213	2	119.6410	0.059	4	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C){1|C<4>,1|H<1>}	119.3340	0.000	1	119.6410	0.059	4	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(N[5]C[5]C){1|C<4>,1|H<1>}	119.6870	0.000	1	119.6410	0.059	4	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	118.1835	0.240	2	118.1835	0.057	2	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ir)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ir)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	117.8230	0.000	1	117.8230	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Os)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Os)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Os<9>,1|C<3>}	115.3430	0.000	1	115.3430	0.000	1	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	117.6113	1.081	11	117.2875	1.057	16	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){2|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<4>}	116.5752	0.345	5	117.2875	1.057	16	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Ru<5>,1|C<3>}	118.6345	1.057	2	117.0716	2.141	9	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Ru<9>,1|C<3>}	116.6250	1.274	7	117.0716	2.141	9	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Se<1>,1|C<3>}	117.7380	0.000	1	117.5615	0.062	2	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Se<2>,1|C<3>}	117.3850	0.000	1	117.5615	0.062	2	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	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(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|C<3>,1|H<1>}	118.0957	1.239	6	118.2421	1.429	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2	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(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	119.1210	0.000	1	118.2421	1.429	7	118.9736	1.494	183	119.0762	1.726	203	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:3:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5]){2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	121.6170	0.000	1	121.6170	0.000	1	119.8845	6.003	2	119.8845	6.003	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:3:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5]){1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]S[5]H)(N[5]C[5]C){1|S<1>}	118.1520	0.000	1	118.1520	0.000	1	119.8845	6.003	2	119.8845	6.003	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,2|C<3>}	120.7118	1.058	5	120.8414	0.957	8	120.3986	1.145	17	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<3>,1|S<1>,2|C<3>}	121.0573	1.000	3	120.8414	0.957	8	120.3986	1.145	17	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	119.3975	0.620	6	120.0051	1.082	9	120.3986	1.145	17	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	121.2203	0.206	3	120.0051	1.082	9	120.3986	1.145	17	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]C[5]C)2{1|B<4>,1|C<3>}	118.2675	0.185	2	118.2675	0.034	2	118.6783	1.090	7	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]C[5]C)2{1|C<3>,1|I<1>}	118.7843	1.718	3	118.7843	2.952	3	118.6783	1.090	7	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]C[5]C)2{1|Rh<6>,1|C<3>}	118.9300	0.322	2	118.9300	0.104	2	118.6783	1.090	7	119.9366	1.687	25	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:2:2:	3:3:1:1:	3:2:	C-4:N[5]-2:P[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5])	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	N[5](N[5]P[5]C)(N[5]C[5])	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5]){1|C<4>}	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	N[5](N[5]P[5]C)(N[5]C[5]){1|C<4>}	116.4903	0.351	4	116.4903	0.124	4	116.4903	0.124	4	116.4903	0.124	4	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:3:3:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H){6|C<3>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C){1|H<1>,4|C<3>}	122.2830	0.000	1	122.2830	0.000	1	122.2830	0.000	1	122.2830	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:4:4:1:	3:3:	Si[5]-4:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH)	C(N[5]Si[5]N[5])(CH3)2(H)	N[5](N[5]Si[5]C)(C[5]O[5]C)	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH){1|C<4>}	C(N[5]Si[5]N[5])(CH3)2(H)	N[5](N[5]Si[5]C)(C[5]O[5]C){1|C<4>,1|O<2>}	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:3:2:	6:3:1:1:	3:3:	C-4:C[5]-3:N[5]-2:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)2	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5]){1|C<3>,1|C<4>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)2{1|Ir<8>,1|C<3>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:4:2:	3:3:1:1:	3:2:	C[5,5,6]-4:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,5,6]C)(N[5]C[5,5,6])	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5]){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,5,6]C)(N[5]C[5,5,6]){2|C<4>,2|H<1>}	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	116.6960	9.654	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	4:4:2:	3:3:1:1:	3:2:	C[5,6]-4:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,6]C)(N[5]C[5,6])	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,6]C)(N[5]C[5,6]){1|C<3>,1|C<4>,2|H<1>}	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	116.6960	9.654	2	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	5:2:4:	3:1:1:1:	3:3:	Si[5,5]-5:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)	C(N[5]Si[5,5]N[5])(H)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	C(N[5]Si[5,5]N[5])(H)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<4>,1|O<2>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	5:4:2:	3:3:1:1:	3:3:	Si[5,5]-5:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP2_SP2_SP3	N[5]	C	N[5]	5:4:2:	3:3:2:1:	3:3:	Si[5,5]-5:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-2:H-1:	N[5]-3:C[5]-3:	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	119.1574	3.901	1015	119.1574	3.901	1015
542	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	112.0708	1.126	6	112.0708	1.268	6	112.0708	1.268	6	112.2356	0.855	9	112.8645	3.739	11	112.8645	3.739	11
542	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]C[6a])(N[5]C[5]C){2|H<1>,4|C<3>}	112.5290	0.000	1	112.5290	0.000	1	112.5650	0.006	3	112.2356	0.855	9	112.8645	3.739	11	112.8645	3.739	11
542	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	112.6560	0.000	1	112.6560	0.000	1	112.5650	0.006	3	112.2356	0.855	9	112.8645	3.739	11	112.8645	3.739	11
542	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	112.5100	0.000	1	112.5100	0.000	1	112.5650	0.006	3	112.2356	0.855	9	112.8645	3.739	11	112.8645	3.739	11
542	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:2:4:	3:3:1:1:	3:2:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](N[5]C[5,5]C)(N[5]C[5,5])	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](N[5]C[5,5]C)(N[5]C[5,5]){2|C<3>,2|H<1>}	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	112.8645	3.739	11	112.8645	3.739	11
542	490	960	0:SP3_SP2_SP3	N[5]	C	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:N[5]-2:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5])	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5]){2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	113.3530	0.000	1	113.3530	0.000	1	113.3530	0.000	1	113.3530	0.000	1	112.8645	3.739	11	112.8645	3.739	11
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3){1|N<3>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C){1|C<3>}	113.4265	0.395	2	113.4265	0.156	2	113.4265	0.156	2	111.9670	6.469	3	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5]O)(O[5]C[5])(CH3)	C(N[5]N[5]O[5])(H)3	O[5](C[5]C[5]O)(N[5]N[5]C)	N[5](N[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C(N[5]N[5]O[5])(H)3	O[5](C[5]C[5]O)(N[5]N[5]C){1|C<3>,1|O<1>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	111.9670	6.469	3	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	3:2:4:	3:4:4:3:	3:3:	C[5,6a]-3:O[5]-2:C-4:	N[5]-3:C-4:C-4:C-3:	C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	O[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	O[5](C[5]C[5,6a]N)(N[5]C[5,6a]C){2|C<3>}	113.2765	3.847	2	113.2765	14.802	2	113.2765	14.802	2	113.2765	14.802	2	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]C)(N[5]C[5]C)	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(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>}	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	104.0670	0.202	2	104.0670	0.041	2	104.2775	0.957	17	104.2775	0.957	17	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	103.9037	1.356	3	103.9037	1.838	3	104.2775	0.957	17	104.2775	0.957	17	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|B<6>,1|C<4>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|B<6>,1|C<3>,1|H<1>}	103.7160	0.312	4	103.6424	0.098	7	104.2775	0.957	17	104.2775	0.957	17	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	103.5443	0.350	3	103.6424	0.098	7	104.2775	0.957	17	104.2775	0.957	17	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,2|C<3>}	105.5077	0.496	3	105.4752	0.125	5	104.2775	0.957	17	104.2775	0.957	17	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	105.4265	0.036	2	105.4752	0.125	5	104.2775	0.957	17	104.2775	0.957	17	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	104.5890	0.000	1	104.5890	0.000	1	104.6847	0.183	3	104.6847	0.183	3	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]N[6])(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]N[6])(N[5]C[5]C){2|C<3>,2|C<4>}	104.3130	0.000	1	104.3130	0.000	1	104.6847	0.183	3	104.6847	0.183	3	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	105.1520	0.000	1	105.1520	0.000	1	104.6847	0.183	3	104.6847	0.183	3	105.9258	12.518	26	105.9258	12.518	26
542	490	976	0:SP2_SP3_SP3	N[5]	C	O[5]	2:2:4:	3:4:4:1:	4:3:	N[5]-2:O[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	O[5](B[5]C[6a]2O[5])(N[5]N[5]C)	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	O[5](B[5]C[6a]2O[5])(N[5]N[5]C){4|C<3>}	118.8170	0.000	1	118.8170	0.000	1	119.0095	0.074	2	119.0095	0.074	2	115.4540	37.962	3	115.4540	37.962	3
542	490	976	0:SP2_SP3_SP3	N[5]	C	O[5]	2:2:4:	3:4:4:1:	4:3:	N[5]-2:O[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	O[5](B[5]C[6a]2O[5])(N[5]N[5]C)	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	O[5](B[5]C[6a]2O[5])(N[5]N[5]C){4|C<3>}	119.2020	0.000	1	119.2020	0.000	1	119.0095	0.074	2	119.0095	0.074	2	115.4540	37.962	3	115.4540	37.962	3
542	490	976	0:SP2_SP3_SP3	N[5]	C	O[5]	3:2:4:	3:3:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C(N[5]C[5,6a]O[5])(CCC)(H)2	O[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]O[5])(CCC)(H)2	O[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C){2|C<3>}	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	115.4540	37.962	3	115.4540	37.962	3
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|C<4>}	104.4570	0.000	1	104.4570	0.000	1	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	103.9790	0.074	2	103.9790	0.005	2	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	105.4790	0.000	1	105.4790	0.000	1	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Au<2>,1|C<4>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	103.5080	0.000	1	103.7810	0.149	2	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	104.0540	0.000	1	103.7810	0.149	2	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,2|C<3>}	105.3090	0.694	3	105.3090	0.481	3	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N[6])(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]N[5]N[6])(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	104.2215	0.728	2	104.2215	0.529	2	104.5296	0.629	11	104.5296	0.629	11	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:4:	3:4:4:4:	3:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C(N[5]C[5]O[5])(CH3)3	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){4|C<3>}	C(N[5]C[5]O[5])(CH3)3	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	105.5870	0.000	1	105.5870	0.000	1	105.5870	0.000	1	105.5870	0.000	1	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	103.4060	0.000	1	104.4770	2.294	2	104.5356	0.950	10	104.5356	0.950	10	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	105.5480	0.000	1	104.4770	2.294	2	104.5356	0.950	10	104.5356	0.950	10	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	104.0915	0.344	6	104.0915	0.118	6	104.5356	0.950	10	104.5356	0.950	10	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,4|C<3>}	105.3760	0.000	1	105.3760	0.000	1	104.5356	0.950	10	104.5356	0.950	10	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|N<3>,2|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]N)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	106.4770	0.000	1	106.4770	0.000	1	104.5356	0.950	10	104.5356	0.950	10	104.5804	0.757	22	104.5804	0.757	22
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5]3)(O[5]C[5])(CH3)	C(N[5]C[5,5]O[5])(H)3	O[5](N[5]C[5,5]C)(C[5]C[5]HH)	N[5](C[5,5]C[5]3)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C(N[5]C[5,5]O[5])(H)3	O[5](N[5]C[5,5]C)(C[5]C[5]HH){2|C<4>,2|H<1>}	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3)	C(N[5]C[5,5]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5]C)	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(N[5]C[5,5]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[5,5]C){2|C<3>,2|H<1>,3|C<4>}	105.7660	0.000	1	105.7660	0.000	1	105.7660	0.000	1	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	C(N[5]C[5,5]O[5])(H)3	O[5](C[5]C[5,5]CH)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(N[5]C[5,5]O[5])(H)3	O[5](C[5]C[5,5]CH)(N[5]C[5,5]C){1|H<1>,1|O<2>,2|C<3>}	105.5880	0.000	1	105.5880	0.000	1	106.0303	0.621	3	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	C(N[5]C[5,5]O[5])(H)3	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|N<2>,3|C<3>,3|H<1>}	C(N[5]C[5,5]O[5])(H)3	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C){1|H<1>,1|O<2>,2|C<3>}	106.2515	0.974	2	106.2515	0.948	2	106.0303	0.621	3	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:	N[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(CH3){2|C<3>,2|C<4>,6|H<1>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]C)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|O<2>,4|C<3>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]C)(N[5]C[5,6]C){2|H<1>,3|C<3>}	104.3330	0.000	1	104.3330	0.000	1	104.3330	0.000	1	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	105.9180	0.000	1	105.9180	0.000	1	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	107.4810	1.029	3	107.4810	1.059	3	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	108.2210	0.000	1	105.3752	4.077	4	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>}	104.4267	0.847	3	105.3752	4.077	4	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	107.9420	0.000	1	107.9420	0.000	1	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	104.5397	0.192	4	104.2932	0.182	6	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	103.8000	0.264	2	104.2932	0.182	6	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]O[5])(H)3	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){1|C<4>,1|H<1>,2|C<3>}	104.8390	0.000	1	104.8390	0.000	1	105.5251	2.827	16	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3){1|C<4>,4|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	104.7310	0.859	3	104.7310	0.737	3	105.3202	1.219	5	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3){2|H<1>,4|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.5720	0.000	1	105.5720	0.000	1	105.3202	1.219	5	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3){2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	106.8360	0.000	1	106.8360	0.000	1	105.3202	1.219	5	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]2C)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CC)(N[5]C[5]C)	N[5](C[5]C[5]2C)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CC)(N[5]C[5]C){2|C<4>,2|H<1>}	104.1910	0.000	1	104.1910	0.000	1	105.5110	1.426	9	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	105.9160	0.781	2	106.2143	0.572	3	105.5110	1.426	9	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<4>,3|H<1>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	106.8110	0.000	1	106.2143	0.572	3	105.5110	1.426	9	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	105.9600	1.438	3	105.9600	2.067	3	105.5110	1.426	9	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C(N[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C){2|C<3>,2|H<1>}	104.4425	0.120	2	104.4425	0.014	2	105.5110	1.426	9	105.5226	1.787	37	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C){1|O<2>,2|C<4>,4|H<1>}	108.1540	0.000	1	108.1540	0.000	1	108.1540	0.000	1	106.9943	2.800	7	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC[6a]HH)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	106.9943	2.800	7	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH)	C(N[5]C[5]O[5])(COO)(H)2	O[5](C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH){1|S<4>,2|C<3>,3|H<1>}	C(N[5]C[5]O[5])(COO)(H)2	O[5](C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	104.8770	0.000	1	104.8770	0.000	1	104.8770	0.000	1	106.9943	2.800	7	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.4220	0.000	1	105.4220	0.000	1	107.0810	5.505	2	106.9943	2.800	7	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]2H)(N[5]C[5]C)	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]2H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.7400	0.000	1	108.7400	0.000	1	107.0810	5.505	2	106.9943	2.800	7	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	108.1885	0.172	2	108.1885	0.030	2	108.1885	0.030	2	106.9943	2.800	7	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)	C(N[5]C[5]O[5])(CCHH)(H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5]O[5])(CCHH)(H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	103.7540	0.000	1	103.7540	0.000	1	105.3840	5.314	2	105.3840	5.314	2	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH)	C(N[5]C[5]O[5])(CCHH)(H)2	O[5](C[5]C[5,6,6]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	C(N[5]C[5]O[5])(CCHH)(H)2	O[5](C[5]C[5,6,6]C[5]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	107.0140	0.000	1	107.0140	0.000	1	105.3840	5.314	2	105.3840	5.314	2	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:4:4:4:	4:3:	C[5,6]-4:O[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3)	C(N[5]C[5,6]O[5])(CH3)3	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3){3|C<3>,3|H<1>}	C(N[5]C[5,6]O[5])(CH3)3	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C){3|C<3>,3|H<1>}	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	106.7360	0.642	3	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:4:4:4:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3)	C(N[5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(N[5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C){1|C<3>,2|H<1>,4|C<4>}	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	106.7360	0.642	3	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:2:4:	3:4:4:4:	4:3:	C[5]-4:O[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C(N[5]C[5]O[5])(CH3)3	O[5](C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){1|S<4>,2|C<3>,3|H<1>}	C(N[5]C[5]O[5])(CH3)3	O[5](C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	106.0690	0.000	1	106.0690	0.000	1	106.0690	0.000	1	106.7360	0.642	3	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	3:4:	C[5,5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:	N[5](C[5,5]C[5,5]C[5]2)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](N[5]C[5,5]C)(C[5]C[5]CH)	N[5](C[5,5]C[5,5]C[5]2)(CC[6a]HH)(O[5]C[5]){2|O<2>,3|C<4>,5|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](N[5]C[5,5]C)(C[5]C[5]CH){2|C<4>,2|H<1>}	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C){2|C<4>,2|H<1>}	109.8830	0.000	1	107.4525	11.815	2	107.4525	11.815	2	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){3|C<3>,4|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]HH)(N[5]C[5,5]C){1|C<4>,1|H<1>,2|C<3>}	105.0220	0.000	1	107.4525	11.815	2	107.4525	11.815	2	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,6]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	106.8150	2.634	3	106.8150	6.939	3	106.8150	6.939	3	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	105.7320	2.153	3	105.8465	3.144	4	105.8541	4.020	9	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,3|C<4>,3|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	106.1900	0.000	1	105.8465	3.144	4	105.8541	4.020	9	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]2C)(N[5]C[5]C)	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]2C)(N[5]C[5]C){1|C<3>,2|H<1>,4|C<4>}	108.0105	0.128	2	108.0105	0.016	2	105.8541	4.020	9	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	106.4220	0.000	1	106.4220	0.000	1	105.8541	4.020	9	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]2H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]2H)(N[5]C[5]C){1|C<3>,3|C<4>,3|H<1>}	104.2440	0.000	1	104.2440	0.000	1	105.8541	4.020	9	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	976	0:SP3_SP3_SP3	N[5]	C	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	102.6140	0.000	1	102.6140	0.000	1	105.8541	4.020	9	106.2884	4.853	14	105.9611	2.729	65	105.9611	2.729	65
542	490	987	0:SP2_SP-NON_SP3	N[5]	C	P[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:P[5]-2:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|C<4>}	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	P[5](C[5]N[5]C)(N[5]N[5]C){1|Re<6>}	125.8780	0.000	1	125.8780	0.000	1	126.2990	0.354	2	126.2990	0.354	2	126.0637	3.639	8	126.0637	3.639	8
542	490	987	0:SP2_SP-NON_SP3	N[5]	C	P[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:P[5]-2:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	P[5](C[5]N[5]Si)(N[5]N[5]C)	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|Si<4>}	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	P[5](C[5]N[5]Si)(N[5]N[5]C){1|Re<6>}	126.7200	0.000	1	126.7200	0.000	1	126.2990	0.354	2	126.2990	0.354	2	126.0637	3.639	8	126.0637	3.639	8
542	490	987	0:SP2_SP-NON_SP3	N[5]	C	P[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:P[5]-2:	C[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	P[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	P[5](N[5]C[5]C)2{2|H<1>}	123.1180	0.069	2	123.1180	0.005	2	123.1180	0.005	2	123.1180	0.005	2	126.0637	3.639	8	126.0637	3.639	8
542	490	987	0:SP2_SP-NON_SP3	N[5]	C	P[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:P[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5])	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5]){1|C<4>}	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	P[5](C[5]N[5]C)(N[5]N[5]C)	127.4190	0.318	4	127.4190	0.101	4	127.4190	0.101	4	127.4190	0.101	4	126.0637	3.639	8	126.0637	3.639	8
542	490	989	0:SP2_SP2_SP3	N[5]	C	Si[5]	3:3:4:	3:4:4:1:	6:3:3:	Si[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|N<3>,6|B<6>}	C(N[5]Si[5]C[5])(CH3)2(H)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	122.2910	0.000	1	122.2910	0.000	1	122.2910	0.000	1	122.2910	0.000	1	129.5633	41.962	3	129.5633	41.962	3
542	490	989	0:SP2_SP2_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:Si[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3){1|C<4>,2|H<1>}	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)2(NCC){4|H<1>}	133.1995	2.143	2	133.1995	4.593	2	133.1995	4.593	2	133.1995	4.593	2	129.5633	41.962	3	129.5633	41.962	3
542	490	996	0:SP2_SP3_SP3	N[5]	C	Si[4,5]	4:3:4:	3:4:4:4:	3:3:3:3:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	As[4]-3:As[4]-3:N[5]-3:N[5]-3:	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	C(N[5]Si[4,5]C[5])(CH3)3	Si[4,5](As[4]Si[4,5]Zn)2(N[5]C[5]C)2	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3){1|Si<4>,2|Zn<3>,1|C<4>,1|H<1>}	C(N[5]Si[4,5]C[5])(CH3)3	Si[4,5](As[4]Si[4,5]Zn)2(N[5]C[5]C)2{2|H<1>,2|N<3>}	131.0935	0.941	2	131.0935	0.886	2	131.0935	0.886	2	131.0935	0.886	2	131.5847	1.167	3	131.5847	1.167	3
542	490	996	0:SP2_SP3_SP3	N[5]	C	Si[4,5]	4:3:4:	3:4:4:4:	4:4:3:2:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	C(N[5]Si[4,5]C[5])(CH3)3	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]Si[4,5]C[5])(CH3)3	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	132.5670	0.000	1	132.5670	0.000	1	132.5670	0.000	1	132.5670	0.000	1	131.5847	1.167	3	131.5847	1.167	3
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:1:1:1:	3:2:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3)	C(N[5]C[5,6a]Se[5])(H)3	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(H)3	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	124.1100	0.763	3	124.1100	0.582	3	124.1100	0.582	3	124.1100	0.582	3	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:1:1:1:	3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3)	C(N[5]C[5,6a]Se[5])(H)3	Se[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]Se[5])(H)3	Se[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C){1|H<1>,3|C<3>}	117.7900	0.000	1	117.7900	0.000	1	117.7900	0.000	1	117.7900	0.000	1	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:3:1:1:	3:2:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH)	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	123.6723	1.239	3	123.6723	1.536	3	123.6723	1.536	3	123.6723	1.536	3	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	C(N[5]Se[5]C[5])(CCH)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]Se[5]C[5])(CCH)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	120.8529	1.442	10	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	120.8910	0.000	1	120.7458	1.494	9	120.7458	1.494	9	120.8529	1.442	10	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	120.7276	1.305	8	120.7458	1.494	9	120.7458	1.494	9	120.8529	1.442	10	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:3:4:1:	3:3:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	120.6797	0.841	3	120.6797	0.708	3	120.6797	0.708	3	120.6797	0.708	3	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:2:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	124.4375	0.853	2	124.4375	0.728	2	123.9557	0.888	6	123.9557	0.888	6	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:2:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	123.7148	1.002	4	123.7148	1.004	4	123.9557	0.888	6	123.9557	0.888	6	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:4:4:1:	3:2:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	C(N[5]C[5,6a]Se[5])(CH3)2(H)	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CH3)2(H)	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	124.5430	0.259	2	124.5430	0.067	2	124.5430	0.067	2	124.5430	0.067	2	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:4:4:4:	3:2:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3)	C(N[5]C[5,6a]Se[5])(CH3)3	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CH3)3	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	123.3060	0.880	13	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:4:4:4:	3:2:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:	N[5](C[5]C[5]H)(Se[5]N[5])(CC3)	C(N[5]Se[5]C[5])(CH3)3	Se[5](N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[5]H)(Se[5]N[5])(CC3){1|H<1>}	C(N[5]Se[5]C[5])(CH3)3	Se[5](N[5]C[5]C)(N[5]C[5]){2|H<1>}	123.3976	0.917	12	123.3976	0.842	12	123.3976	0.842	12	123.3060	0.880	13	122.5903	3.304	42	122.5903	3.304	42
542	490	997	0:SP2_SP3_SP3	N[5]	C	Se[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	C(N[5]Se[5]C[5])(CHHO)(CH3)2	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|O<1>,3|C<3>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	122.5903	3.304	42	122.5903	3.304	42
542	490	999	0:SP2_SP3_SP3	N[5]	C	N[5,5]	4:3:4:	3:4:1:1:	4:4:3:1:	N[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1
542	490	999	0:SP3_SP3_SP3	N[5,5]	C	N[5,5,6,6]	4:4:4:	3:4:4:4:	4:4:3:1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5]-3:C-4:C-4:C-4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3)	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	116.7390	0.000	1	116.7390	0.000	1	116.7390	0.000	1	116.4125	0.213	2	116.4125	0.213	2	114.8522	5.613	5
542	490	999	0:SP3_SP3_SP3	N[5,5]	C	N[5,5,6,6]	4:4:4:	3:4:4:4:	4:4:3:1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5]-3:C-4:C-4:C-4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3)	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	116.4125	0.213	2	116.4125	0.213	2	114.8522	5.613	5
542	490	999	0:SP3_SP3_SP3	N[5]	C	N[5,5,6]	4:4:4:	3:4:4:4:	4:4:3:1:	N[5,5,6]-4:Ga[5,6]-4:C-4:	N[5]-3:C-4:C-4:C-4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3)	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	112.2790	0.022	2	112.2790	0.022	2	114.8522	5.613	5
542	490	999	0:SP3_SP3_SP3	N[5]	C	N[5,5,6]	4:4:4:	3:4:4:4:	4:4:3:1:	N[5,5,6]-4:Ga[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	C(N[5]N[5,5,6]Ga[5])(CH3)3	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	C(N[5]N[5,5,6]Ga[5])(CH3)3	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.2790	0.022	2	112.2790	0.022	2	114.8522	5.613	5
542	490	999	0:SP3_SP3_SP3	N[5]	C	N[5,5]	4:3:4:	3:4:1:1:	4:4:3:1:	N[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	114.8522	5.613	5
542	538	643	0:SP2_SP2_SPD5	N[5]	Ge[5]	C[6a]	4:5:3:	3:3:1:1:1:	3:3:3:	P[5]-4:Ge[5]-5:C[6a]-3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{3|Cl<1>,2|H<1>,5|C<3>}	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1	126.7650	0.000	1
542	538	955	5:SP2_SP3_SPD5	N[5]	Ge[5]	P[5]	4:5:3:	3:3:1:1:1:	3:3:3:3:	P[5]-4:Ge[5]-5:C[6a]-3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]C[5]C){3|Cl<1>,4|H<1>,7|C<3>}	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1
542	542	542	5:SP2_SP2_SP2	N[5]	N[5,6]	N[5]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:C[6]-3:	N[5]-3:N[5]-3:C-3:	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO)	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,6|C<3>}	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	103.7180	0.000	1	103.7180	0.000	1	103.7180	0.000	1	103.7180	0.000	1	103.7180	0.000	1	106.4527	7.445	4
542	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Pd)(N[5]N[5]H)(H)	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(N[5]N[5]H)(H){1|C<4>,1|S<2>}	105.7560	0.000	1	105.7560	0.000	1	105.7560	0.000	1	105.7560	0.000	1	107.3643	6.182	3	106.4527	7.445	4
542	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,3|C<3>}	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	107.3643	6.182	3	106.4527	7.445	4
542	542	542	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:3:3:	3:3:3:	4:3:3:	N[5]-3:N[5]-3:C-3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:C-3:	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO)	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO)	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO){4|C<3>}	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	107.3643	6.182	3	106.4527	7.445	4
542	542	542	5:SP3_SP2_SP2	N[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](C[5]C[5]Ru)(N[5]N[5]H)(CC[6a]HH)	N[5](N[5]C[5]C)2(H){1|Ru<9>,1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[5]C[5]Ru)(N[5]N[5]H)(CC[6a]HH){1|C<3>,1|C<4>}	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1
542	542	542	5:SP3_SP2_SP3	N[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Pd)(N[5]N[5]H)(H)	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<4>,1|S<2>}	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(N[5]N[5]H)(H){1|C<4>,1|S<2>}	106.4650	0.000	1	106.9223	0.161	3	106.9223	0.161	3	106.9223	0.161	3	106.9223	0.161	3	106.9223	0.161	3
542	542	542	5:SP3_SP2_SP3	N[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Pd)(N[5]N[5]H)(H)	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<5>,1|S<2>}	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<5>,1|H<1>}	N[5](N[5]C[5]Pd)(N[5]N[5]H)(H){1|C<4>,1|S<2>}	107.1510	0.093	2	106.9223	0.161	3	106.9223	0.161	3	106.9223	0.161	3	106.9223	0.161	3	106.9223	0.161	3
542	542	562	5:SP2_SP3_SP3	N[5]	N[5]	Si[5,6]	4:3:3:	3:3:1:	3:3:3:3:	Si[5,6]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:1:	3:3:1:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:1:	3:3:3:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	120.8650	5.596	7	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:1:	3:3:3:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	B(N[5]C[5]N[5])3(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	B(N[5]C[5]N[5])3(H)	121.3383	2.199	6	121.3383	4.834	6	121.3383	4.834	6	120.8650	5.596	7	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:1:	3:3:3:2:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C-2:	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:1:	3:3:3:3:	C[5]-3:N[5]-3:B-4:	C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H)	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H){1|C<4>,1|H<1>,2|C<3>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	118.8710	0.000	1	118.8710	0.000	1	118.8710	0.000	1	119.4775	0.736	2	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:1:	3:3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3)	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]B)(H){2|H<1>}	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	119.4775	0.736	2	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H)	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW)	B(N[5]C[5]N[5])3(H)	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW){1|C<4>,1|H<1>}	B(N[5]C[5]N[5])3(H)	126.5930	0.000	1	126.5930	0.000	1	126.5930	0.000	1	126.5930	0.000	1	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	4:3:3:	3:3:1:	3:3:3:1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	4:3:3:	3:3:1:	3:3:3:3:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5a]-3:N[5a]-3:N[5]-3:C[6a]-3:	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	4:3:3:	3:3:1:	3:3:4:1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	B(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|I<1>}	N[5](C[5]C[5]H)(N[5]C[5]B)(H){1|H<1>,1|I<1>}	B(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	4:3:3:	4:3:3:	3:3:4:1:	B-4:C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	B(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	B(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	124.2035	1.211	4	124.2035	1.467	4	123.9800	1.350	5	123.9677	1.081	6	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	4:3:3:	4:3:3:	3:3:4:1:	B-4:C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B)	B(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	B(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	123.0860	0.000	1	123.0860	0.000	1	123.9800	1.350	5	123.9677	1.081	6	121.5064	9.777	21	121.5064	9.777	21
542	542	610	0:SP2_SP2_SP3	N[5]	N[5]	B	4:3:3:	4:3:3:	3:3:4:1:	B-4:C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-3:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	123.9677	1.081	6	121.5064	9.777	21	121.5064	9.777	21
542	542	618	0:SP2_SP2_SP2	N[5,6]	N[5]	B[6]	4:3:3:	3:3:1:	3:3:2:	C[5,6,6]-4:B[6]-3:N[5]-3:	N[5,6]-3:B[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]O)(N[5]B[5]H)	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]O)(N[5]B[5]H){1|H<1>,5|C<3>}	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	126.5370	0.000	1	126.5370	0.000	1	126.5370	0.000	1	126.5370	0.000	1	127.1415	0.731	2	127.1415	0.731	2
542	542	618	0:SP2_SP2_SP2	N[5,6]	N[5]	B[6]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:B[6]-3:N[5]-3:	N[5,6]-3:B[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]H)	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]H){1|H<1>,2|N<3>,5|C<3>}	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,1|H<1>,4|C<4>,6|C<3>}	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	127.1415	0.731	2	127.1415	0.731	2
542	542	618	6:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	B[3x6]	3:3:3:	3:3:3:	3:3:3:	B[3x6]-3:N[5,6,6]-3:C[5]-3:	B[3x6]-3:N[5,6,6]-3:C[5]-3:	N[5a,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	B[3x6](N[5a,6,6]N[5a,6,6]C[5a])(N[5,6,6]N[5,6,6]C[5])2	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[3x6](N[5a,6,6]N[5a,6,6]C[5a])(N[5,6,6]N[5,6,6]C[5])2{1|B<3>,3|C<4>,6|C<3>}	115.0368	0.525	4	115.0368	0.275	4	115.0368	0.275	4	115.0368	0.275	4	115.0368	0.275	4	115.0368	0.275	4
542	542	643	0:SP2_SP2_SP2	N[5,6]	N[5]	C[6,6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6a]-3:N[5,6]-3:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	113.2153	1.738	3	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5,6]	N[5]	C[6,6a]	3:4:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.9765	0.015	2	113.9765	0.000	2	113.9765	0.000	2	113.9765	0.000	2	113.2153	1.738	3	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)	C[6a](N[5]N[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6a](N[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2){1|O<1>,2|H<1>,3|C<3>}	122.4040	0.000	1	122.4040	0.000	1	124.3590	7.644	2	124.3590	7.644	2	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	126.3140	0.000	1	126.3140	0.000	1	124.3590	7.644	2	124.3590	7.644	2	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	126.0839	1.662	8	126.3862	1.150	40	126.3862	1.150	40	126.3862	1.150	40	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<1>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	126.7140	0.000	1	126.3862	1.150	40	126.3862	1.150	40	126.3862	1.150	40	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	125.8535	0.626	4	126.3862	1.150	40	126.3862	1.150	40	126.3862	1.150	40	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	126.5426	0.914	27	126.3862	1.150	40	126.3862	1.150	40	126.3862	1.150	40	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]Ir)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Ir<4>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]C[5]Ir)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	125.9260	0.000	1	125.9260	0.000	1	125.9057	0.099	4	125.9057	0.099	4	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]Mo)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Mo<9>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]C[5]Mo)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	126.3110	0.000	1	126.3110	0.000	1	125.9057	0.099	4	125.9057	0.099	4	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	125.6930	0.202	2	125.6930	0.041	2	125.9057	0.099	4	125.9057	0.099	4	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	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>}	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	119.6760	0.000	1	119.6760	0.000	1	119.6760	0.000	1	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.4010	0.000	1	118.4010	0.000	1	118.4440	0.004	2	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.4870	0.000	1	118.4870	0.000	1	118.4440	0.004	2	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:B[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H){1|O<2>,3|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[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:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|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](N[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[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:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[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](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	125.1350	0.000	2	125.1350	0.000	2	125.1350	0.000	2	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	122.1670	0.000	1	122.1670	0.000	1	121.1058	0.862	6	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.3070	0.000	1	122.3070	0.000	1	121.1058	0.862	6	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	121.0610	0.000	1	121.0610	0.000	1	121.1058	0.862	6	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	120.3667	0.225	3	120.3667	0.050	3	121.1058	0.862	6	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<3>,3|C<3>,3|H<1>}	124.2300	0.000	1	124.2300	0.000	1	124.2300	0.000	1	121.0911	5.863	14	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:N[5]-3:C[6a]-3:	B[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	116.2025	2.906	2	116.2025	8.442	2	116.2025	8.442	2	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO)	C[6a](N[5]N[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	C[6a](N[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5])	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cl<1>,1|C<4>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	124.0585	0.416	2	124.0585	0.173	2	123.1861	0.731	7	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	123.5940	0.195	2	122.9875	0.544	4	123.1861	0.731	7	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.3810	0.351	2	122.9875	0.544	4	123.1861	0.731	7	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cl<1>,1|C<4>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.2360	0.000	1	122.2360	0.000	1	123.1861	0.731	7	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<3>,3|C<3>,3|H<1>}	125.5340	0.000	1	125.5340	0.000	1	125.5340	0.000	1	121.1831	17.990	12	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[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:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	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>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3){1|Pd<4>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	119.9310	0.000	1	119.9310	0.000	1	119.9310	0.000	1	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	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>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.4930	0.000	1	122.4930	0.000	1	122.4930	0.000	1	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[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:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH){1|Pd<4>,1|C<4>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	124.9670	0.000	1	124.9670	0.000	1	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	124.0450	0.000	1	124.0450	0.000	1	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<2>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.3290	0.000	1	122.9126	1.445	13	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.2989	0.887	8	122.9126	1.445	13	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){2|C<3>,2|O<2>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.0740	0.000	1	122.9126	1.445	13	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.3567	0.662	3	122.9126	1.445	13	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	121.7382	1.133	4	121.7382	1.284	4	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	C[6a](N[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>}	124.8460	0.000	1	124.8460	0.000	1	122.8959	1.827	21	122.5155	3.270	24	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP2	N[5]	N[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.2350	1.814	2	114.2350	3.292	2	114.2350	3.292	2	114.2350	3.292	2	123.6886	11.428	99	123.2846	15.094	103
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:2:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	118.5080	0.044	2	118.5080	0.002	2	118.5080	0.002	2	118.5080	0.002	2	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.7940	0.000	1	117.7940	0.000	1	117.7940	0.000	1	117.9010	0.023	2	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[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:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	117.9010	0.023	2	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.9790	0.000	1	116.9790	0.000	1	116.9790	0.000	1	117.1603	0.029	3	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.1870	0.000	1	117.2510	0.008	2	117.2510	0.008	2	117.1603	0.029	3	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.3150	0.000	1	117.2510	0.008	2	117.2510	0.008	2	117.1603	0.029	3	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	118.3840	0.000	1	118.3840	0.000	1	118.3840	0.000	1	118.3840	0.000	1	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	Si[5,6]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H)	C[6a](N[5]Si[5,6]N[5])(C[6a]C[6a]H)2	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[6a](N[5]Si[5,6]N[5])(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	4:3:3:	3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[5]-4:C-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP2_SP2_SP3	N[5]	N[5]	C[6a]	4:3:3:	4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	116.4362	5.501	13	116.4362	5.501	13
542	542	643	0:SP3_SP2_SP2	N[5,6]	N[5]	C[6,6a]	3:4:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5,5]-4:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.4799	3.908	9
542	542	643	0:SP3_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	114.4759	4.466	8	114.4799	3.908	9
542	542	643	0:SP3_SP2_SP2	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5])	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C){2|Cl<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	114.4759	4.466	8	114.4799	3.908	9
542	542	643	0:SP3_SP2_SP2	N[5]	N[5]	C[6a]	3:4:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	114.4759	4.466	8	114.4799	3.908	9
542	542	643	0:SP3_SP2_SP2	N[5]	N[5]	C[6a]	3:4:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	114.4759	4.466	8	114.4799	3.908	9
542	542	643	0:SP3_SP2_SP2	N[5]	N[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.6230	0.898	4	113.6230	0.806	4	113.6230	0.806	4	113.6230	0.806	4	114.4759	4.466	8	114.4799	3.908	9
542	542	643	0:SP3_SP2_SP3	N[5,6]	N[5]	C[6,6a]	3:4:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:2:	3:4:4:	3:3:3:	C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	117.9950	0.000	1	117.9950	0.000	1	117.9950	0.000	1	117.9950	0.000	1	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:N[5]-3:C[6a]-3:	B[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	115.7730	0.342	2	115.7730	0.117	2	115.7730	0.117	2	117.3402	8.135	9	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO){1|O<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	117.3402	8.135	9	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:B[5]-3:	N[5]-3:C[6a]-3:B[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N)	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.4370	0.011	2	114.4370	0.000	2	114.4370	0.000	2	117.3402	8.135	9	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<3>,4|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<3>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.9590	0.614	2	116.9590	0.377	2	119.4405	8.419	4	117.3402	8.135	9	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	121.9220	0.499	2	121.9220	0.249	2	119.4405	8.419	4	117.3402	8.135	9	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.9690	0.000	1	117.9690	0.000	1	117.9690	0.000	1	118.8947	0.690	3	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.5740	0.000	1	119.5740	0.000	1	119.3575	0.094	2	118.8947	0.690	3	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	C[6a](N[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>}	119.1410	0.000	1	119.1410	0.000	1	119.3575	0.094	2	118.8947	0.690	3	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	117.3581	6.444	15	117.0574	7.462	16
542	542	643	0:SP3_SP2_SP3	N[5]	N[5]	C[6a]	4:3:3:	3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[5]-4:C-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	117.3581	6.444	15	117.0574	7.462	16
542	542	643	6:SP2_SP2_SP2	N[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:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.5020	0.000	1	120.5020	0.000	1	120.5020	0.000	1	120.5020	0.000	1	120.6600	0.126	6	120.6600	0.126	6
542	542	643	6:SP2_SP2_SP2	N[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:	N[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	121.0705	0.269	2	121.0705	0.073	2	120.6916	0.150	5	120.6916	0.150	5	120.6600	0.126	6	120.6600	0.126	6
542	542	643	6:SP2_SP2_SP2	N[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:	N[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	120.3945	0.189	2	120.4390	0.024	3	120.6916	0.150	5	120.6916	0.150	5	120.6600	0.126	6	120.6600	0.126	6
542	542	643	6:SP2_SP2_SP2	N[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:	N[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|O<2>,3|C<3>,3|H<1>}	120.5280	0.000	1	120.4390	0.024	3	120.6916	0.150	5	120.6916	0.150	5	120.6600	0.126	6	120.6600	0.126	6
542	542	679	5:SP3_SP2_SP3	N[5,6]	N[5,6]	B[5,5a]	4:3:4:	4:3:4:	3:2:2:2:	B[5,5a]-4:N[5,6]-3:C[6]-4:	B[5a,6]-4:N[5,6]-3:P[5]-4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC)	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1
542	542	679	6:SP2_SP3_SP3	N[5,6]	N[5,6]	B[5a,6]	4:3:4:	4:3:4:	3:2:2:2:	B[5a,6]-4:N[5,6]-3:P[5]-4:	B[5,5a]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC)	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1
542	542	727	0:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	126.3170	0.000	1	126.3170	0.000	1	129.2475	17.176	2	129.2475	17.176	2	129.2475	17.176	2	125.9453	41.301	3
542	542	727	0:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]Pd)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,6a]C[5])(C[5]N[5]Pd)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	132.1780	0.000	1	132.1780	0.000	1	129.2475	17.176	2	129.2475	17.176	2	129.2475	17.176	2	125.9453	41.301	3
542	542	727	0:SP2_SP2_SP2	N[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[5a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5a]-2:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H)	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H){2|C<3>,2|N<2>}	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2{2|H<1>,3|C<3>}	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	125.9453	41.301	3
542	542	727	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	107.1770	0.000	2	107.1770	0.000	2	107.1770	0.000	2	107.1770	0.000	2	107.2093	0.003	3	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5,6a]	3:4:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:	N[5,5]-3:N[5]-2:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5])	N[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a])(C[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5]){1|Re<6>,2|H<1>,6|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a])(C[5]C[5]Re){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	107.2093	0.003	3	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5,6a]	3:3:4:	7:3:3:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]2Cl2)(N[5,6,6]C[5,6a]B[3x6])(C[5]C[5,6a]C)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]2Cl2)(N[5,6,6]C[5,6a]B[3x6])(C[5]C[5,6a]C){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.1657	0.320	3	109.1657	0.102	3	109.1657	0.102	3	109.1657	0.102	3	109.1657	0.102	3	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.4620	0.000	1	107.4620	0.000	1	107.3650	1.184	5	107.3650	1.184	5	107.3854	0.755	11	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	105.9500	0.000	1	105.9500	0.000	1	107.3650	1.184	5	107.3650	1.184	5	107.3854	0.755	11	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.3740	0.445	2	108.3740	0.198	2	107.3650	1.184	5	107.3650	1.184	5	107.3854	0.755	11	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	106.6650	0.000	1	106.6650	0.000	1	107.3650	1.184	5	107.3650	1.184	5	107.3854	0.755	11	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:B[6]-4:	N[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.1970	0.076	2	107.1970	0.006	2	107.1970	0.006	2	107.4023	0.562	6	107.3854	0.755	11	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	N[5,6]-3:Ga[6]-4:C[5]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.5050	0.945	4	107.5050	0.893	4	107.5050	0.893	4	107.4023	0.562	6	107.3854	0.755	11	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O){2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	105.4250	0.000	1	105.4250	0.000	1	105.4250	0.000	1	105.4250	0.000	1	105.4250	0.000	1	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	107.2630	0.745	4	107.2630	0.555	4	107.2630	0.555	4	107.2630	0.555	4	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	106.5510	0.000	1	105.7190	1.384	2	105.7190	1.384	2	105.7190	1.384	2	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	N[5]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	104.8870	0.000	1	105.7190	1.384	2	105.7190	1.384	2	105.7190	1.384	2	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	108.0620	1.077	8	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	108.0620	1.077	8	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.2480	1.633	2	107.8050	0.660	6	107.8050	0.660	6	108.0620	1.077	8	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	107.5835	0.123	4	107.8050	0.660	6	107.8050	0.660	6	108.0620	1.077	8	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.8070	0.339	2	106.8070	0.115	2	107.1709	0.319	7	107.1709	0.319	7	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	108.2430	0.000	1	108.2430	0.000	1	107.1709	0.319	7	107.1709	0.319	7	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	107.3135	0.378	2	107.3135	0.143	2	107.1709	0.319	7	107.1709	0.319	7	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.8170	0.000	1	106.8170	0.000	1	107.1709	0.319	7	107.1709	0.319	7	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	106.8950	0.000	1	106.8950	0.000	1	107.1709	0.319	7	107.1709	0.319	7	107.5536	2.460	24	107.5494	1.886	42
542	542	727	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	107.5900	5.307	2	107.9717	3.091	3
542	542	727	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	107.5900	5.307	2	107.9717	3.091	3
542	542	727	5:SP2_SP2_SP3	N[5]	N[5]	C[5,6a]	3:3:4:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:P-4:	C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P){1|C<4>,2|H<1>,3|C<3>}	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	107.9717	3.091	3
542	542	727	5:SP3_SP2_SP2	N[5,6]	N[5,6]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	107.7405	4.738	4
542	542	727	5:SP3_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	Si[5,6]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H)	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	108.2450	5.580	3	107.7405	4.738	4
542	542	727	5:SP3_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	108.2450	5.580	3	107.7405	4.738	4
542	542	727	5:SP3_SP2_SP2	N[5]	N[5]	C[5,6a]	3:3:4:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2){6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.2450	5.580	3	107.7405	4.738	4
542	542	762	0:SP2_SP2_SP2	N[5,6]	N[5]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:C[6]-3:	N[5,6]-3:C[6a]-3:N[5]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,6|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1
542	542	762	0:SP2_SP2_SP3	N[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:2:3:	C[5,6]-4:C[6]-3:N[5]-3:	N[5,6]-3:C[5]-4:S-4:	N[5,6]-3:N[6]-2:N-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	115.2550	0.244	2	115.2550	0.244	2
542	542	762	0:SP2_SP2_SP3	N[5,6]	N[5]	C[6]	4:3:3:	4:3:4:	3:2:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6]-4:N[5,6]-3:S-4:	N[5,6]-3:N[6]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H)	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	115.2550	0.244	2	115.2550	0.244	2
542	542	762	0:SP3_SP2_SP2	N[5,6]	N[5]	C[6]	4:3:3:	3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:N-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H){1|C<3>,2|C<2>,4|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH){2|C<3>,2|C<4>,2|H<1>}	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1
542	542	762	0:SP3_SP2_SP3	N[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:2:3:	C[5,6]-4:C[6]-3:N[5]-3:	N[5,6]-3:C[5]-4:S-4:	N[5,6]-3:N[6]-2:N-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1
542	542	762	6:SP2_SP2_SP2	N[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH)	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH){1|H<1>,4|C<3>}	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	120.3864	0.584	5	120.3864	0.584	5
542	542	762	6:SP2_SP2_SP2	N[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|N<3>,2|C<3>,2|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	120.1175	0.060	2	120.2767	0.078	3	120.0897	0.192	4	120.0897	0.192	4	120.3864	0.584	5	120.3864	0.584	5
542	542	762	6:SP2_SP2_SP2	N[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|N<3>,2|C<3>,2|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	120.5950	0.000	1	120.2767	0.078	3	120.0897	0.192	4	120.0897	0.192	4	120.3864	0.584	5	120.3864	0.584	5
542	542	762	6:SP2_SP2_SP2	N[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C){1|H<1>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	119.5290	0.000	1	119.5290	0.000	1	120.0897	0.192	4	120.0897	0.192	4	120.3864	0.584	5	120.3864	0.584	5
542	542	762	6:SP2_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:3:3:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.7220	0.000	1	120.7220	0.000	1	118.5130	9.759	2	118.5130	9.759	2	118.0870	9.279	7	118.0870	9.279	7
542	542	762	6:SP2_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:3:3:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	116.3040	0.000	1	116.3040	0.000	1	118.5130	9.759	2	118.5130	9.759	2	118.0870	9.279	7	118.0870	9.279	7
542	542	762	6:SP2_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6]-3:H-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	118.0870	9.279	7	118.0870	9.279	7
542	542	762	6:SP2_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	4:4:3:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6]-3:O-2:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(OSi)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(OSi){1|O<1>,2|H<1>,3|C<4>}	115.7965	0.035	2	115.7965	0.001	2	115.7965	0.001	2	115.7965	0.001	2	118.0870	9.279	7	118.0870	9.279	7
542	542	762	6:SP2_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	4:4:3:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	118.0870	9.279	7	118.0870	9.279	7
542	542	762	6:SP2_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:4:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:N[6]-3:S-1:	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S)	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<3>}	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S){3|C<4>,4|C<3>}	123.6280	0.000	1	123.6280	0.000	1	123.6280	0.000	1	123.6280	0.000	1	118.0870	9.279	7	118.0870	9.279	7
542	542	762	6:SP3_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6]-3:H-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	117.5707	1.049	3	117.5707	1.049	3
542	542	762	6:SP3_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C-3:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H){1|O<1>,2|H<1>,3|C<4>}	118.6970	0.000	1	118.6970	0.000	1	117.6960	2.004	2	117.6960	2.004	2	117.5707	1.049	3	117.5707	1.049	3
542	542	762	6:SP3_SP2_SP3	N[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C-3:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(COO)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(COO){1|O<1>,2|H<1>,3|C<4>}	116.6950	0.000	1	116.6950	0.000	1	117.6960	2.004	2	117.6960	2.004	2	117.5707	1.049	3	117.5707	1.049	3
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6]-3:N[5,5]-3:B[5]-4:	C[5,6]-3:N[5,5]-3:B[5]-4:	N[5,6]-3:N[5,5]-3:F-1:F-1:	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF)	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF)	B[5](N[5,6]C[6,6a]C[5,6])(N[5,5]C[5,6]N[5,5])(F)2	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF){1|H<1>,2|F<1>,4|C<3>}	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF){1|H<1>,2|F<1>,4|C<3>}	B[5](N[5,6]C[6,6a]C[5,6])(N[5,5]C[5,6]N[5,5])(F)2{1|B<4>,1|N<2>,1|N<3>,3|C<3>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	3:3:3:	3:3:3:2:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5])	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<2>,4|F<1>,6|C<3>}	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	112.1345	35.171	2	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	3:3:3:	3:3:3:2:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:S[5]-2:	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(S[5]C[5])	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(S[5]C[5]){1|C<4>,1|N<2>,4|F<1>,6|C<3>}	116.3280	0.000	1	116.3280	0.000	1	116.3280	0.000	1	112.1345	35.171	2	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]Cu)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|Cu<2>,1|H<1>,2|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C){1|Cu<2>,1|C<4>,1|H<1>,2|C<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]Cu){2|C<4>,4|H<1>,6|C<3>}	108.4855	0.805	2	108.4855	0.649	2	108.9387	0.940	3	108.9387	0.940	3	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|H<1>,1|S<1>,2|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]C){1|C<4>,1|S<1>,4|F<1>,6|C<3>}	109.8450	0.000	1	109.8450	0.000	1	108.9387	0.940	3	108.9387	0.940	3	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	3:4:3:	3:3:3:2:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5])	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mg)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mg<6>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mg<6>,2|H<1>,2|N<3>,4|C<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mg){1|N<3>,4|H<1>,7|C<3>}	110.8135	0.309	2	110.8135	0.095	2	110.9579	0.480	14	110.9579	0.480	14	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mn)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mn<6>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mn<6>,2|H<1>,2|N<3>,4|C<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mn){1|N<3>,4|H<1>,7|C<3>}	111.3840	0.175	2	111.3840	0.031	2	110.9579	0.480	14	110.9579	0.480	14	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<8>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<8>,2|H<1>,2|N<3>,4|C<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru){1|N<3>,4|H<1>,7|C<3>}	110.8270	0.891	6	110.8491	0.692	8	110.9579	0.480	14	110.9579	0.480	14	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<9>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<9>,2|H<1>,2|N<3>,4|C<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru){1|N<3>,4|H<1>,7|C<3>}	110.9155	0.928	2	110.8491	0.692	8	110.9579	0.480	14	110.9579	0.480	14	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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])	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Fe<6>,1|H<1>,2|N<3>,5|C<3>}	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>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe){1|N<3>,4|H<1>,7|C<3>}	111.7160	0.000	1	111.7160	0.000	1	110.9579	0.480	14	110.9579	0.480	14	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,5]	N[5,5]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[6a]C[5])	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe)	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>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Fe<6>,1|H<1>,2|N<3>,5|C<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe){1|N<3>,3|H<1>,8|C<3>}	110.5070	0.000	1	110.5070	0.000	1	110.9579	0.480	14	110.9579	0.480	14	110.5830	4.002	21	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,6]	N[5,6]	B[5]	3:3:4:	3:4:3:	3:2:1:1:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:O[5]-2:F-1:F-1:	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|N<3>,2|C<3>,2|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	109.0350	0.117	2	109.0820	0.014	3	108.9688	0.060	4	108.9688	0.060	4	108.9688	0.060	4	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,6]	N[5,6]	B[5]	3:3:4:	3:4:3:	3:2:1:1:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:O[5]-2:F-1:F-1:	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|N<3>,2|C<3>,2|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	109.1760	0.000	1	109.0820	0.014	3	108.9688	0.060	4	108.9688	0.060	4	108.9688	0.060	4	110.3247	3.708	25
542	542	786	5:SP2_SP2_SP3	N[5,6]	N[5,6]	B[5]	3:3:4:	3:4:3:	3:2:1:1:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:O[5]-2:F-1:F-1:	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C){1|H<1>,2|C<3>,2|F<1>}	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	108.6290	0.000	1	108.6290	0.000	1	108.9688	0.060	4	108.9688	0.060	4	108.9688	0.060	4	110.3247	3.708	25
542	542	811	0:SP2_SP2_SP3	N[5]	N[5]	B[6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6a]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H)	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|B<3>,2|C<3>,2|H<1>}	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)2(N[5]C[5]2)	N[5](C[5]N[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<6>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Zn<4>,1|H<1>,2|C<3>}	127.1580	0.000	1	126.7685	0.303	2	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)2(N[5]C[5]2)	N[5](C[5]N[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<6>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Zn<6>,1|H<1>,2|C<3>}	126.3790	0.000	1	126.7685	0.303	2	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Pd<4>,1|C<4>,2|C<3>}	133.5420	0.000	1	133.5420	0.000	1	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<6>,1|C<4>,2|C<3>}	132.9953	2.052	6	128.8340	21.082	12	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){1|Rh<5>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){1|Rh<5>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<5>,1|C<4>,2|C<3>}	124.3940	0.813	4	128.8340	21.082	12	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<6>,1|C<4>,2|C<3>}	125.2300	0.368	2	128.8340	21.082	12	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Ru)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]N[5]Ru)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]Ru)(C[5]N[5]H)(N[5]C[5]2){1|Ru<9>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Ru)(C[5]N[5]H)(N[5]C[5]2){1|Ru<9>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Ru<9>,1|C<4>,2|C<3>}	121.3520	2.213	2	121.3520	4.898	2	127.9877	22.974	17	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	127.5920	0.000	1	127.5920	0.000	1	130.7415	19.839	2	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5,6a]C[5])(C[5]N[5]Pd)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]Pd)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Pd<4>,1|C<4>,2|C<3>}	133.8910	0.000	1	133.8910	0.000	1	130.7415	19.839	2	128.2776	22.278	19	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H){4|C<3>}	123.5330	0.000	1	123.5330	0.000	1	123.5330	0.000	1	126.5400	11.909	5	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(N[5]C[5]2)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]N[5]Pd)(C[5]N[5]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	132.3030	0.000	1	132.3030	0.000	1	132.3030	0.000	1	126.5400	11.909	5	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(N[5]C[5]2)	N[5](C[5]N[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5]Zn)(H)	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<6>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5]Zn)(H){1|H<1>,2|C<3>}	125.4430	0.000	1	126.1685	1.053	2	126.1685	1.053	2	126.5400	11.909	5	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(N[5]C[5]2)	N[5](C[5]N[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5]Zn)(H)	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<6>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]N[5]H)2(N[5]C[5]2){1|Zn<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5]Zn)(H){1|H<1>,2|C<3>}	126.8940	0.000	1	126.1685	1.053	2	126.1685	1.053	2	126.5400	11.909	5	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	126.5400	11.909	5	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(N[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]N[5])(O)	N[5](C[5]C[5,5,6]O)2(N[5]C[5]2){2|H<1>,2|O<1>,4|C<4>}	N[5](C[5]C[5,5,6]O)2(N[5]C[5]2){2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]N[5])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.3360	1.296	4	122.3360	1.681	4	122.3360	1.681	4	122.3360	1.681	4	127.1185	21.199	28	127.1185	21.199	28
542	542	818	0:SP2_SP2_SP3	N[5,5]	N[5]	C[5]	4:3:3:	4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:H-1:	N[5,5]-3:N[5]-3:S-1:	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S)	N[5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,5]C[5])(H)	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S)	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.8315	1.471	2	118.8315	2.165	2	118.8315	2.165	2	118.8315	2.165	2	118.8315	2.165	2	124.9443	23.704	6
542	542	818	0:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5]C[5]N[5])(N[5]N[5])(H){1|Rh<6>,3|C<4>}	127.9405	2.044	2	127.9405	4.179	2	127.9405	4.179	2	127.9405	4.179	2	128.0008	1.419	4	124.9443	23.704	6
542	542	818	0:SP2_SP2_SP3	N[5]	N[5]	C[5]	4:3:3:	4:4:3:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[5]CH)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|C<4>,1|N<3>,7|H<1>}	C[5](N[5]C[5]N[5])2(H){4|C<4>,4|H<1>}	128.0610	0.250	2	128.0610	0.063	2	128.0610	0.063	2	128.0610	0.063	2	128.0008	1.419	4	124.9443	23.704	6
542	542	818	0:SP3_SP2_SP2	N[5,5]	N[5]	C[5]	4:3:3:	3:4:3:	3:3:4:	C[5,5]-4:C[5]-3:N[5]-3:	N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO)	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C){1|O<2>,3|C<3>,5|H<1>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1
542	542	818	0:SP3_SP2_SP3	N[5,5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:N[5]-3:	N[5,5]-3:C[5]-3:C-3:	N[5,5]-3:N[5]-3:O-1:	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO)	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	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[5](N[5,5]C[5,5]N[5])(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1
542	542	818	5:SP2_SP2_SP2	N[5,5,6]	N[5,6]	C[5,5]	6:3:3:	6:3:3:	3:3:3:	In[5,6]-6:N[5,6]-3:C[5,5]-3:	In[5,6]-6:N[5,5,6]-3:C[5]-3:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5])	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(N[5,5,6]In[5,6]C[5,5])(C[5]C[5]H)	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H)	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5]){2|Cl<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(N[5,5,6]In[5,6]C[5,5])(C[5]C[5]H){2|Cl<1>,1|H<1>,1|O<2>,2|N<3>,4|C<3>}	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H){1|In<6>,2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5,6]	3:3:2:	3:3:2:	3:3:4:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6]-3:N[5,5]-3:P[5]-2:	N[5,5]-3:C[5,6]-3:C[6]-4:	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){2|H<1>,4|C<4>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){2|H<1>,4|C<4>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	111.3740	0.638	4	111.3740	0.407	4	111.3740	0.407	4	111.3740	0.407	4	111.2241	0.818	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5,6]	3:3:2:	3:3:3:	3:3:4:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6]-3:N[5,5]-3:P[5]-3:	N[5,5]-3:C[5,6]-3:C[6]-4:	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn)	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){1|Sn<3>,2|H<1>,4|C<4>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn){2|H<1>,4|C<4>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.2241	0.818	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:N[5,5]-3:P[5]-3:	C[5,6]-3:N[5,5]-3:P[5]-2:	N[5,5]-3:C[5,6]-3:C[6]-4:	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn){2|H<1>,4|C<4>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){1|Sn<3>,2|H<1>,4|C<4>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.2241	0.818	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:N[5,5]-3:B[5]-4:	C[5,6]-3:N[5,5]-3:B[5]-4:	N[5,6]-3:N[5,5]-3:C[6]-3:	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF)	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF)	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H)	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF){1|H<1>,2|F<1>,4|C<3>}	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF){1|H<1>,2|F<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	111.2241	0.818	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:2:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:N[5]-2:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5])	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](N[5,5]N[5,5]N[5])(C[5]C[5]Au)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	C[5](N[5,5]N[5,5]N[5])(C[5]C[5]Au)(H){1|C<3>,2|C<4>}	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:2:2:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:O[5]-2:N-2:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(NC)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(NC){1|C<4>,4|C<3>}	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	113.4455	17.035	2	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:2:2:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:S[5]-2:N-2:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N)	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(S[5]B[5])(NC)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(S[5]B[5])(NC){1|C<4>,4|C<3>}	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	113.4455	17.035	2	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:S-1:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|H<1>,1|S<1>,2|C<4>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S){1|C<4>,4|C<3>}	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C){1|Cu<2>,1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|Cu<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|B<4>,1|N<3>,2|C<4>}	109.8825	0.643	2	109.8825	0.413	2	109.8252	0.120	5	109.9811	0.162	7	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|H<1>,1|S<1>,2|C<4>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<3>,1|S<1>}	109.8100	0.000	1	109.8100	0.000	1	109.8252	0.120	5	109.9811	0.162	7	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|O<2>}	109.9390	0.000	1	109.9390	0.000	1	109.8252	0.120	5	109.9811	0.162	7	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N)	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|S<2>}	109.6120	0.000	1	109.6120	0.000	1	109.8252	0.120	5	109.9811	0.162	7	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C-4:	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]Cu)(CH3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C){1|Cu<2>,1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|Cu<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]Cu)(CH3){1|C<4>,4|C<3>}	110.3710	0.256	2	110.3710	0.066	2	110.3710	0.066	2	109.9811	0.162	7	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	5:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C[5]-3:	Si[5,5]-5:N[5,5]-3:C[5]-3:	N[5,5]-3:N[5,5]-3:O-1:	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]C[5,6a]Si[5,5])(N[5,5]N[5,5]C[5])(O)	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(N[5,5]N[5,5]C[5])(O){1|C<4>,1|O<2>,6|C<3>}	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:3:3:	5:3:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	Si[5,5]-5:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,1|N<3>,1|O<1>}	111.4040	0.000	1	111.4040	0.000	1	111.4040	0.000	1	111.4040	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:4:3:	3:3:2:	3:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:N[5]-2:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5])	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]Au)(CH3)	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]Au)(CH3){1|C<3>,1|N<2>,3|H<1>}	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:4:3:	3:4:3:	3:2:1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:N[5]-2:H-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|S<2>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|S<2>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(H){2|C<4>,3|H<1>}	106.7470	0.320	4	106.7470	0.102	4	106.7470	0.102	4	106.7470	0.102	4	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:4:3:	3:4:3:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<1>,5|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	112.2550	0.047	2	112.2550	0.002	2	113.1372	1.097	4	113.1372	1.097	4	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:4:3:	3:4:3:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	114.0195	0.418	2	114.0195	0.175	2	113.1372	1.097	4	113.1372	1.097	4	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:3:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,3|C<4>}	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	3:3:3:	3:3:4:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|Cu<2>,1|H<1>,2|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C){1|Cu<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	108.6555	0.469	2	108.6555	0.220	2	108.2510	0.202	5	108.2510	0.202	5	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	3:3:3:	3:3:4:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|H<1>,1|S<1>,2|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,3|C<3>}	107.8200	0.000	1	107.8200	0.000	1	108.2510	0.202	5	108.2510	0.202	5	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	3:3:3:	3:3:4:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	108.0310	0.000	1	108.0310	0.000	1	108.2510	0.202	5	108.2510	0.202	5	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	3:3:3:	3:3:4:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|S<2>,3|C<3>}	108.0930	0.000	1	108.0930	0.000	1	108.2510	0.202	5	108.2510	0.202	5	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	3:4:3:	3:3:4:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|O<2>,2|C<3>,2|C<4>}	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	3:4:3:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,3|C<4>}	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mg<6>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mg<6>,2|H<1>,2|N<3>,4|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	108.4730	0.158	2	108.5070	0.191	12	108.5058	0.175	13	108.5058	0.175	13	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mn<6>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mn<6>,2|H<1>,2|N<3>,4|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	108.6455	0.431	2	108.5070	0.191	12	108.5058	0.175	13	108.5058	0.175	13	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<8>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<8>,2|H<1>,2|N<3>,4|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	108.4525	0.483	6	108.5070	0.191	12	108.5058	0.175	13	108.5058	0.175	13	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5]H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<9>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<9>,2|H<1>,2|N<3>,4|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	108.5660	0.810	2	108.5070	0.191	12	108.5058	0.175	13	108.5058	0.175	13	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(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[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Fe<6>,1|H<1>,2|N<3>,5|C<3>}	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[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|N<3>,1|O<3>,2|C<3>}	108.4910	0.000	1	108.4910	0.000	1	108.5058	0.175	13	108.5058	0.175	13	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:3:	3:3:3:	B[5]-4:N[5,5]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-3:	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[6a]C[5])	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	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]){1|Fe<6>,2|H<1>,2|N<3>,6|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Fe<6>,1|H<1>,2|N<3>,5|C<3>}	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>}	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,5]	N[5,5]	C[5]	5:3:3:	3:3:3:	3:3:4:	Si[5,5]-5:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-4:	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C)	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	106.4330	0.000	1	106.4330	0.000	1	106.4330	0.000	1	106.4330	0.000	1	109.6379	5.440	46	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	B[3x6]-3:N[5,6,6]-3:C[5]-3:	B[3x6]-3:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	108.5955	0.512	4	108.5955	0.262	4	108.5955	0.262	4	108.5955	0.262	4	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	4:3:3:	3:3:1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|N<3>,3|H<1>,4|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	108.1065	0.230	2	108.1065	0.053	2	108.1065	0.053	2	108.1065	0.053	2	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	6:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>,3|N<2>}	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Ge<6>,1|C<4>,1|H<1>,2|N<3>}	109.2807	0.206	3	109.2807	0.042	3	109.2807	0.042	3	109.3880	0.298	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	6:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	In[4x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](In[4x6]N[5,6,6]2O[6]2Cl)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[5,6,6](In[4x6]N[5,6,6]2O[6]2Cl)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|In<6>,1|C<4>,1|H<1>,2|N<3>}	108.9190	0.796	3	108.9190	0.634	3	108.9190	0.634	3	109.3880	0.298	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	6:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3x6]N[5,6,6]2ClCN)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|N<3>}	N[5,6,6](Nb[3x6]N[5,6,6]2ClCN)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	109.4040	0.427	6	109.4040	0.183	6	109.4040	0.183	6	109.3880	0.298	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	6:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[4x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[4x6]N[5,6,6]2C[6]O[6]O)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	N[5,6,6](Nb[4x6]N[5,6,6]2C[6]O[6]O)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>,3|C<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	109.9323	0.399	3	109.9323	0.159	3	109.9323	0.159	3	109.3880	0.298	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	7:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|C<3>,2|N<3>,3|H<1>,5|C<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	109.9353	0.615	3	109.8505	0.181	6	109.8487	0.181	15	109.8487	0.181	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	7:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|N<3>,3|C<4>,4|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|C<3>,2|N<3>,3|H<1>,5|C<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	109.7657	0.229	3	109.8505	0.181	6	109.8487	0.181	15	109.8487	0.181	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	7:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[5a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[5a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|O<2>,2|N<3>,3|C<3>,3|H<1>,5|C<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	109.5277	0.317	3	109.5277	0.101	3	109.8487	0.181	15	109.8487	0.181	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	7:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]2C[3]2)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]2C[3]2)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<4>,6|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	109.9890	0.422	3	109.9890	0.178	3	109.8487	0.181	15	109.8487	0.181	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	7:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|N<3>,3|H<1>,4|C<3>,5|C<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	110.0257	0.551	3	110.0257	0.304	3	109.8487	0.181	15	109.8487	0.181	15	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	8:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3,3x6]-8:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,3]2C[3]2N[6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,3|C<4>,3|N<3>,4|C<3>}	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,3]2C[3]2N[6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|N<3>,4|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	109.8303	0.512	3	109.8303	0.262	3	109.9160	0.156	6	109.9160	0.156	6	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	3:4:3:	8:3:3:	3:3:4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	Nb[3,3,3x6]-8:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,6a]2C[3]2C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,6a]2C[3]2C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	110.0017	0.325	3	110.0017	0.105	3	109.9160	0.156	6	109.9160	0.156	6	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	4:3:3:	3:4:3:	3:3:1:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|N<3>,3|H<1>,4|C<3>}	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	108.2485	0.452	2	108.2485	0.204	2	108.2485	0.204	2	108.2485	0.204	2	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|H<1>,2|N<3>,5|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|H<1>,2|N<3>,5|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	107.9100	0.523	6	107.9100	0.273	6	107.9100	0.273	6	107.9100	0.273	6	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	4:3:3:	7:3:3:	3:3:4:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.2465	0.650	2	111.2465	0.422	2	111.2465	0.422	2	111.2465	0.422	2	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	6:3:3:	3:4:3:	3:3:4:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>,3|N<2>}	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,3|N<2>}	107.5360	0.212	2	107.5360	0.045	2	107.5360	0.045	2	106.8017	0.476	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	6:3:3:	3:4:3:	3:3:4:	In[4x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](In[4x6]N[5,6,6]2O[6]2Cl)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3)	N[5,6,6](In[4x6]N[5,6,6]2O[6]2Cl)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|C<4>,2|N<3>,2|O<2>}	107.1687	1.125	3	107.1687	1.266	3	107.1687	1.266	3	106.8017	0.476	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	6:3:3:	3:4:3:	3:3:4:	Nb[3x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3x6]N[5,6,6]2ClCN)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3x6]N[5,6,6]2ClCN)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|N<2>,2|C<4>,2|N<3>}	106.5948	0.275	6	106.5948	0.075	6	106.5948	0.075	6	106.8017	0.476	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	6:3:3:	3:4:3:	3:3:4:	Nb[4x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[4x6]N[5,6,6]2C[6]O[6]O)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[4x6]N[5,6,6]2C[6]O[6]O)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>,3|C<4>}	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	106.3590	0.674	3	106.3590	0.455	3	106.3590	0.455	3	106.8017	0.476	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	3:3:4:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	N[5,6,6]-3:C[5,6a]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]2Cl2)(N[5,6,6]C[5,6a]B[3x6])(C[5]C[5,6a]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]2Cl2)(N[5,6,6]C[5,6a]B[3x6])(C[5]C[5,6a]C){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3){2|Cl<1>,1|B<4>,1|H<1>,2|N<3>,4|C<3>}	107.8673	0.307	3	107.8673	0.094	3	107.8673	0.094	3	107.8673	0.094	3	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	3:4:3:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|C<3>,2|N<3>,3|H<1>,5|C<4>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	106.4383	0.699	3	106.2888	0.291	5	106.3551	0.188	14	106.3551	0.188	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	3:4:3:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|C<3>,2|N<3>,3|H<1>,5|C<4>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,2|N<3>,3|C<4>}	106.0645	0.138	2	106.2888	0.291	5	106.3551	0.188	14	106.3551	0.188	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	3:4:3:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[5a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[5a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|O<2>,2|N<3>,3|C<3>,3|H<1>,5|C<4>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	106.4647	0.521	3	106.4647	0.271	3	106.3551	0.188	14	106.3551	0.188	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	3:4:3:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]2C[3]2)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]2C[3]2)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	106.3303	0.359	3	106.3303	0.129	3	106.3551	0.188	14	106.3551	0.188	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	3:4:3:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|N<3>,3|H<1>,4|C<3>,5|C<4>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	106.3810	0.460	3	106.3810	0.212	3	106.3551	0.188	14	106.3551	0.188	14	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	7:3:3:	4:3:3:	3:3:4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	104.9700	0.672	2	104.9700	0.451	2	104.9700	0.451	2	104.9700	0.451	2	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	8:3:3:	3:4:3:	3:3:4:	Nb[3,3,3x6]-8:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,3]2C[3]2N[6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,3]2C[3]2N[6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|N<3>,4|C<3>,4|C<4>,4|H<1>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,3|C<4>,3|N<3>,4|C<3>}	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,3|C<4>,3|N<3>}	106.2917	0.338	3	106.2917	0.114	3	106.2147	0.110	6	106.2147	0.110	6	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6,6]	N[5,6,6]	C[5]	8:3:3:	3:4:3:	3:3:4:	Nb[3,3,3x6]-8:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,6a]2C[3]2C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,6a]2C[3]2C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<4>,4|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,1|C<4>,2|N<3>,4|C<3>}	106.1377	0.377	3	106.1377	0.142	3	106.2147	0.110	6	106.2147	0.110	6	108.1332	2.655	91	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,5,6]	C[5]	6:3:3:	6:3:3:	3:3:1:	In[5,6]-6:N[5,5,6]-3:C[5]-3:	In[5,6]-6:N[5,6]-3:C[5,5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(N[5,5,6]In[5,6]C[5,5])(C[5]C[5]H)	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5])	C[5](N[5,6]N[5,5,6]In[5,6])(C[5]C[5,5]H)(H)	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(N[5,5,6]In[5,6]C[5,5])(C[5]C[5]H){2|Cl<1>,1|H<1>,1|O<2>,2|N<3>,4|C<3>}	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5]){2|Cl<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](N[5,6]N[5,5,6]In[5,6])(C[5]C[5,5]H)(H){1|In<6>,2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C)	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.1075	0.424	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]H)(H)	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	108.1075	0.424	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	109.4114	0.367	5	109.4114	0.135	5	109.4114	0.135	5	109.4114	0.135	5	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:3:4:	3:3:4:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7555	0.510	2	109.7555	0.260	2	109.7555	0.260	2	109.7555	0.260	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:3:4:	3:3:4:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	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){1|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	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>}	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<3>}	106.8784	0.243	5	106.8784	0.059	5	106.8784	0.059	5	106.8784	0.059	5	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:3:4:	3:2:4:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:O[5]-2:C-4:	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C)	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3)	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C){1|H<1>,2|C<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3){1|C<3>,1|N<3>,4|F<1>}	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:3:4:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:N[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H)	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.8562	1.948	5	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:3:4:	3:3:1:	N[5,6]-3:Ga[6]-4:C[5]-3:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H)	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.5740	1.437	4	108.5740	2.066	4	108.5740	2.066	4	108.8562	1.948	5	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:3:4:	3:3:2:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:C[5a]-3:O[5]-2:	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5])	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|N<3>,2|C<3>,2|F<1>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5]){1|N<3>,2|H<1>,3|C<3>,4|F<1>}	106.8135	0.125	2	106.8135	0.016	2	106.7570	0.017	3	106.7570	0.017	3	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:3:4:	3:3:2:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:B[5]-4:	N[5,6]-3:C[5a]-3:O[5]-2:	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5])	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(B[5]O[5]FF){1|N<3>,2|C<3>,2|F<1>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5]){1|H<1>,1|N<3>,3|C<3>,4|F<1>}	106.6440	0.000	1	106.6440	0.000	1	106.7570	0.017	3	106.7570	0.017	3	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:4:2:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5])	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H){1|B<4>,1|N<3>,2|F<1>}	107.9230	0.000	1	107.9230	0.000	1	108.0890	0.055	2	108.0890	0.055	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:4:2:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5])	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|H<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]){1|C<3>,1|I<1>,1|N<3>,3|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H){1|B<4>,1|N<3>,2|H<1>}	108.2550	0.000	1	108.2550	0.000	1	108.0890	0.055	2	108.0890	0.055	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H){1|Fe<10>,1|B<4>,1|H<1>,1|N<3>,4|C<4>}	107.8773	0.222	4	107.8773	0.049	4	108.0518	0.114	18	108.0518	0.114	18	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	108.0200	0.391	10	108.0200	0.153	10	108.0518	0.114	18	108.0518	0.114	18	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>}	108.3320	0.095	2	108.3320	0.009	2	108.0518	0.114	18	108.0518	0.114	18	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|N<3>,3|H<1>}	108.2795	0.117	2	108.2795	0.014	2	108.0518	0.114	18	108.0518	0.114	18	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:2:	3:3:3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:N[5]-2:	N[5,6]-3:C[5]-3:C-3:	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C)	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5])	C[5](N[5,6]N[5,6]B[6])(C[5]N[5]C)(COO)	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C){1|N<3>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]N[5]C)(COO){1|B<4>,1|N<3>,2|C<3>}	106.3610	0.928	2	106.3610	0.861	2	106.3610	0.861	2	106.3610	0.861	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.5288	0.417	4	107.5288	0.174	4	107.9022	0.246	32	107.9022	0.246	32	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	108.0592	0.500	14	108.0592	0.250	14	107.9022	0.246	32	107.9022	0.246	32	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H){2|H<1>,2|N<2>,3|C<3>,3|N<3>}	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H){2|H<1>,2|N<2>,3|C<3>,3|N<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,3|N<3>}	107.7280	0.455	4	107.7280	0.207	4	107.9022	0.246	32	107.9022	0.246	32	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(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[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	108.1222	0.461	4	108.1222	0.212	4	107.9022	0.246	32	107.9022	0.246	32	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(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[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	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[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	108.3975	0.094	2	108.3975	0.009	2	107.9022	0.246	32	107.9022	0.246	32	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,1|O<2>,2|N<3>}	107.4325	0.053	4	107.4325	0.003	4	107.9022	0.246	32	107.9022	0.246	32	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5,6]	C[5]	4:3:3:	4:3:3:	3:3:3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[5]-3:	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5])	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	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]){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	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>}	108.2935	0.213	2	108.2935	0.045	2	108.2935	0.045	2	108.2935	0.045	2	108.0430	0.850	80	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5,6]	N[5]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	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){2|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	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>}	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(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[5](C[5]C[5,6]H)(N[5]N[5,6]H)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	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[5](C[5]C[5,6]H)(N[5]N[5,6]H)(H){1|C<3>,1|C<4>}	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,5]	3:3:4:	3:3:1:	3:3:3:	C[5,5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H){1|C<3>,1|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|H<1>,3|C<4>}	N[5](C[5]C[5,6]C)(N[5]C[5,6]H)(H){2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.7690	0.000	1	108.7690	0.000	1	108.7706	0.047	5	108.7706	0.047	5	108.5000	0.661	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	N[5](C[5]C[5,6]H)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|C<4>,3|H<1>}	N[5](C[5]C[5,6]H)(N[5]C[5,6]H)(H){2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	108.7710	0.251	4	108.7710	0.063	4	108.7706	0.047	5	108.7706	0.047	5	108.5000	0.661	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:O[6]-2:	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H)	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){2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.5000	0.661	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3){2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C){1|Rh<6>,1|C<4>,3|C<3>}	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	108.5000	0.661	7	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](N[5]C[5]H)(C[5]C[5])(H)	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>}	N[5](N[5]C[5]H)(C[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){1|H<1>,2|C<3>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	N[5]-3:O[5]-2:C-4:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]O[5]C)(O)	N[5](N[5]C[5]O)(O[5]C[5])(CH3)	C[5](C[5]O[5]O)(N[5]N[5]O)(COO)	N[5](C[5]C[5]C)(N[5]O[5]C)(O){1|O<1>}	N[5](N[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]O[5]O)(N[5]N[5]O)(COO){1|C<4>}	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]S[5]H)(N[5]C[5]H)(H)	C[5](N[5]N[5]H)(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5]H)(H){1|H<1>}	N[5](C[5]S[5]H)(N[5]C[5]H)(H){1|H<1>}	C[5](N[5]N[5]H)(S[5]C[5])(H){2|H<1>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:D-1:	C[5]-3:N[5]-3:D-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]D)(D)	N[5](C[5]C[5]H)(N[5]C[5]D)(D)	C[5](C[5]C[5]H)(N[5]N[5]D)(H)	N[5](C[5]C[5]H)(N[5]C[5]D)(D){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]D)(D){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]D)(H){1|D<1>,1|H<1>}	108.6420	0.010	2	108.6420	0.000	2	108.6420	0.000	2	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	N[5](C[5]C[5,6]H)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H)	N[5](C[5]C[5,6]H)(N[5]C[5,6]H)(H){2|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H){2|C<4>,3|H<1>}	109.0275	0.266	4	109.0275	0.071	4	109.0275	0.071	4	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	111.6178	0.753	4	111.6178	0.567	4	111.6178	0.567	4	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	108.1031	0.487	7	108.1031	0.238	7	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	109.2008	0.285	28	109.2008	0.081	28	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){2|H<1>}	108.9161	0.602	82	108.9161	0.362	82	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	108.8625	0.521	4	108.8625	0.271	4	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	109.9630	2.345	2	109.9630	5.498	2	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]Br)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|Br<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|Br<1>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	108.5580	0.000	1	108.5580	0.000	1	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	110.1490	0.000	1	110.1490	0.000	1	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	108.2357	0.568	3	108.2357	0.322	3	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<3>,1|H<1>}	108.2050	0.682	3	108.2050	0.465	3	108.9227	0.419	131	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5]H)(H){2|H<1>}	108.0140	1.397	2	108.0140	1.952	2	108.0140	1.952	2	108.9844	0.625	143	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H)	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H)	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){3|C<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	107.4307	0.675	6	107.4307	0.456	6	107.4307	0.456	6	107.4307	0.456	6	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5]2)(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NCH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NCH){1|C<4>,1|H<1>}	108.3382	0.322	5	108.3382	0.104	5	108.3509	0.431	18	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]Br)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|Br<1>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|Br<1>,1|N<3>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(NHH){2|H<1>}	109.3690	0.000	1	109.3690	0.000	1	108.3509	0.431	18	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH){2|H<1>}	107.5330	0.000	1	107.5330	0.000	1	108.3509	0.431	18	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){2|H<1>}	108.7990	0.849	3	108.7990	0.720	3	108.3509	0.431	18	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	108.6660	0.464	4	108.6660	0.215	4	108.3509	0.431	18	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN){1|H<1>,1|N<3>}	107.6655	0.284	4	107.6655	0.081	4	108.3509	0.431	18	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	108.9495	0.244	2	109.0762	0.038	6	109.0762	0.038	6	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	109.1395	0.168	4	109.0762	0.038	6	109.0762	0.038	6	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	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){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	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>}	109.8350	0.000	1	109.8350	0.000	1	109.4465	0.380	26	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	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){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){2|C<3>,4|H<1>}	109.8557	0.667	3	109.8557	0.444	3	109.4465	0.380	26	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	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){1|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[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>}	109.3195	1.538	2	109.3730	0.374	22	109.4465	0.380	26	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	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){1|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[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	109.3784	0.537	20	109.3730	0.374	22	109.4465	0.380	26	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]N[5]N)(N[5]C[5]H)(H)	N[5](C[5]N[5]N)(N[5]C[5]H)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	108.0075	0.073	2	108.0075	0.005	2	108.0075	0.005	2	108.9996	0.660	53	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	N[5](C[5]C[5,6]C)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	N[5](C[5]C[5,6]C)(N[5]C[5,6]H)(H){2|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]2)(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.3680	0.000	1	108.3680	0.000	1	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.5550	0.483	27	109.5550	0.233	27	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	109.1107	0.674	68	109.1107	0.454	68	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.2395	0.433	2	109.2395	0.188	2	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	109.1857	1.632	26	109.1857	2.663	26	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|Se<2>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|Se<2>,1|C<4>}	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	109.7225	0.132	2	109.7225	0.017	2	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.0930	0.209	2	109.0930	0.044	2	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	109.5346	0.311	7	109.5346	0.097	7	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|H<1>,1|N<3>}	109.3594	0.290	5	109.3594	0.084	5	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|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[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	109.2940	0.000	1	109.2940	0.000	1	109.2458	0.786	141	109.2492	0.782	142	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H){2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|N<3>,3|C<3>}	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	108.2604	4.160	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	109.6870	0.106	3	109.6870	0.011	3	109.6870	0.011	3	108.2604	4.160	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:S-1:	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]N[5]H)2(S)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	C[5](N[5]N[5]H)2(S){2|C<3>}	105.2980	0.000	1	105.2980	0.000	1	105.2980	0.000	1	108.2604	4.160	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	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){1|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|H<1>,4|C<3>}	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>}	106.1900	0.000	1	106.1900	0.000	1	106.1900	0.000	1	108.4993	4.000	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)	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){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O){3|C<3>,3|H<1>}	109.6540	0.000	2	109.6540	0.000	2	109.6540	0.000	2	108.4993	4.000	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:N[5]-3:C-4:	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|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>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	109.2438	4.930	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:B[5]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H)	C[5](N[5]C[6a]B[5])(N[5]N[5]H)(CC3)	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H){1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(N[5]N[5]H)(CC3){1|O<2>,3|C<3>}	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	109.2438	4.930	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	109.5680	0.000	1	109.5680	0.000	1	109.4323	0.036	3	109.2438	4.930	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<3>,1|N<3>}	109.2160	0.000	1	109.2160	0.000	1	109.4323	0.036	3	109.2438	4.930	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|O<2>}	109.5130	0.000	1	109.5130	0.000	1	109.4323	0.036	3	109.2438	4.930	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[3,5]-4:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)(H)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3]2C[5])(N[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.4395	0.099	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5,6]-4:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.4395	0.099	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	C[5](N[5]N[5]H)(N[5]C[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|H<1>}	C[5](N[5]N[5]H)(N[5]C[5])(H){1|C<4>,1|H<1>}	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:N[5]-3:C-4:	C[5,5]-3:N[5]-3:H-1:	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H){1|C<3>,1|C<4>}	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.1706	3.764	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]B)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	109.1706	3.764	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C[5](N[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	109.0045	2.138	2	109.0045	4.569	2	108.2590	3.952	3	109.1706	3.764	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Cd)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7680	0.000	1	106.7680	0.000	1	108.2590	3.952	3	109.1706	3.764	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	110.9024	1.506	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|C<4>}	112.5950	0.000	1	112.5950	0.000	1	111.4899	0.336	9	110.9024	1.506	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|C<4>}	111.8030	0.000	1	111.8030	0.000	1	111.4899	0.336	9	110.9024	1.506	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|B<4>,1|C<4>}	111.3273	0.449	6	111.3273	0.202	6	111.4899	0.336	9	110.9024	1.506	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|C<4>}	111.0470	0.000	1	111.0470	0.000	1	111.4899	0.336	9	110.9024	1.506	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3){2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|O<2>}	109.6190	0.279	2	109.6190	0.078	2	109.6190	0.078	2	110.9024	1.506	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]I)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]B)(H){1|H<1>,1|I<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|I<1>}	C[5](C[5]C[5]I)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	108.8377	9.009	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	105.4480	0.000	1	105.4480	0.000	1	105.4480	0.000	1	108.8377	9.009	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6a]-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H)	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	108.8377	9.009	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H){2|H<1>}	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|H<1>}	111.2550	0.000	1	111.2550	0.000	1	110.8545	0.321	2	108.3570	8.857	4	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|B<4>,1|C<4>}	110.4540	0.000	1	110.4540	0.000	1	110.8545	0.321	2	108.3570	8.857	4	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|C<4>}	105.8595	1.141	2	105.8595	1.301	2	105.8595	1.301	2	108.3570	8.857	4	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	111.7150	0.000	1	111.7150	0.000	1	112.0460	0.219	2	113.0096	4.114	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<3>,2|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.0460	0.219	2	113.0096	4.114	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	115.1320	0.010	2	115.1320	0.000	2	115.1320	0.000	2	113.0096	4.114	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<4>,1|O<1>}	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	113.0096	4.114	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	6:3:3:	3:2:3:	C[5]-3:N[5]-3:H-1:	Si[5,5]-6:N[5]-3:C-3:	C[6a]-3:O[5]-2:N[5]-3:	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)(H)	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	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){2|Br<1>,1|N<3>,1|O<2>,2|C<3>}	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	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>}	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|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[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	108.6371	2.513	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[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[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|O<1>,3|C<3>}	106.7660	0.000	2	106.7660	0.000	2	106.7660	0.000	2	108.6371	2.513	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	108.6371	2.513	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	109.5077	0.223	3	109.5077	0.050	3	109.5077	0.050	3	108.6371	2.513	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){1|C<4>,1|H<1>,2|C<3>}	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(NCH)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]N[5])(O){2|C<4>,3|C<3>,3|H<1>}	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	112.2220	0.024	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	112.2220	0.024	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:4:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](N[5]C[6a]N[5])(N[5]C[5])(CCHH)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cl<1>,1|C<4>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5])(CCHH){1|C<4>,3|C<3>}	107.1420	0.000	1	107.1420	0.000	1	105.6370	4.530	2	105.6370	4.530	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:4:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](N[5]C[6a]N[5])(N[5]C[5])(CF3)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cl<1>,1|C<4>,4|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5])(CF3){1|C<4>,3|C<3>}	104.1320	0.000	1	104.1320	0.000	1	105.6370	4.530	2	105.6370	4.530	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	107.3315	0.022	2	107.3315	0.000	2	107.3315	0.000	2	107.3315	0.000	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-2:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a])	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a]){1|O<2>,3|C<3>}	105.8490	0.178	2	105.8490	0.032	2	105.8490	0.032	2	105.8490	0.032	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:4:1:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,3|C<3>}	110.7200	0.242	2	110.7200	0.058	2	110.7200	0.058	2	110.7200	0.058	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-2:N-3:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	C[5](N[5]C[6a]N[5])(N[5]C[5])(NHH)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5])(NHH){1|C<4>,1|N<3>,2|C<3>}	105.7960	0.000	1	105.7960	0.000	1	105.7960	0.000	1	105.7960	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	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){1|C<4>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){3|C<3>}	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>}	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	107.9664	0.476	14	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){2|C<3>,2|C<4>}	107.3553	0.197	3	107.3553	0.039	3	108.0718	0.348	13	107.9664	0.476	14	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OMn)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<2>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OMn){2|C<3>,2|C<4>}	108.7140	0.000	1	108.7140	0.000	1	108.0718	0.348	13	107.9664	0.476	14	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi){2|C<3>,2|C<4>}	108.3187	0.455	7	108.3187	0.207	7	108.0718	0.348	13	107.9664	0.476	14	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OSn)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OSn){2|C<3>,2|C<4>}	107.4880	0.000	1	107.4880	0.000	1	108.0718	0.348	13	107.9664	0.476	14	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){2|C<3>,2|O<2>}	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH){2|C<3>,2|C<4>}	108.4340	0.000	1	108.4340	0.000	1	108.0718	0.348	13	107.9664	0.476	14	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3)	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){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3){1|Pd<4>,5|C<3>}	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>}	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH){1|Pd<4>,1|C<4>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3){2|C<3>,2|C<4>}	108.6910	0.000	1	108.6910	0.000	1	108.0250	0.887	2	108.1230	0.472	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3){2|C<3>,2|C<4>}	107.3590	0.000	1	107.3590	0.000	1	108.0250	0.887	2	108.1230	0.472	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	Ga-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:Ga-4:	N[5]-3:C[5]-3:C-4:	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C)	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C){1|C<4>,1|H<1>}	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<4>,1|C<4>}	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.1230	0.472	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	C[5](N[5]N[5]C)(N[5]C[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(COO){2|C<3>}	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	C[5](N[5]N[5]C)(N[5]C[5])(H){3|C<3>}	105.8220	0.000	1	105.8220	0.000	1	105.8220	0.000	1	105.8220	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:2:2:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	N[5]-3:N[5]-2:S-2:	N[5](C[5]N[5]S)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	C[5](N[5]N[5]C)(N[5]C[5])(SN)	N[5](C[5]N[5]S)(N[5]C[5]C)(COO){2|C<3>}	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|S<2>,2|C<3>}	C[5](N[5]N[5]C)(N[5]C[5])(SN){3|C<3>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO)	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){1|C<4>,3|C<3>}	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO){1|C<3>}	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>}	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:C-3:	C[3x5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(N[5]C[6a]N[5])(O)	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(N[5]C[6a]N[5])(O){3|C<3>,3|H<1>,5|C<4>}	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]N[5]C)(N[5]C[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>}	C[5](N[5]N[5]C)(N[5]C[5])(H){2|H<1>}	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:B-4:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H){2|C<3>,2|H<1>}	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	108.6318	2.844	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3)	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]B)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){2|H<1>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	108.6318	2.844	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	108.6318	2.844	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	C[5](N[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	106.7890	0.882	2	106.7890	0.779	2	106.9217	0.442	3	108.6318	2.844	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|Cd<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H){2|H<1>}	107.1870	0.000	1	107.1870	0.000	1	106.9217	0.442	3	108.6318	2.844	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.8220	0.330	6	109.8220	0.109	6	109.8220	0.109	6	108.6318	2.844	12	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|C<4>,1|H<1>}	107.2100	0.199	2	107.2100	0.040	2	107.2100	0.040	2	108.1680	2.773	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<4>,1|S<2>}	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd){2|H<1>}	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	108.1680	2.773	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	105.6990	0.000	1	105.6990	0.000	1	106.6024	0.170	9	106.6024	0.170	9	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	106.5680	0.000	1	106.5680	0.000	1	106.6024	0.170	9	106.6024	0.170	9	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	106.6530	0.159	6	106.6530	0.025	6	106.6024	0.170	9	106.6024	0.170	9	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	107.2370	0.000	1	107.2370	0.000	1	106.6024	0.170	9	106.6024	0.170	9	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	C[5](N[5]N[5]C)(N[5]C[5])(NHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]N[5]C)(N[5]C[5])(NHH){1|C<3>,1|N<3>}	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](N[5]N[5]C)(N[5]C[5])(CCHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){3|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[5](N[5]N[5]C)(N[5]C[5])(CCHH){2|C<3>}	105.5370	0.000	1	105.5370	0.000	1	105.5370	0.000	1	105.5370	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|C<3>,1|H<1>}	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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){1|Pd<4>,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[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C){2|H<1>,4|C<3>}	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3){1|C<3>,1|C<4>}	108.0830	0.000	1	108.0830	0.000	1	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3){1|C<3>,1|C<4>}	109.6760	0.000	1	109.6760	0.000	1	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	108.2793	0.277	3	108.2793	0.077	3	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<2>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	108.2460	0.000	1	108.2634	0.684	8	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	108.2659	0.893	7	108.2634	0.684	8	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){2|C<3>,2|O<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	108.6370	0.000	1	108.6370	0.000	1	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	107.4750	0.627	4	107.4750	0.393	4	108.1801	0.626	18	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:Ga-4:	Ga-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3){1|C<4>,1|H<1>}	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<3>,1|C<4>}	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	108.1621	0.598	19	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Cr<6>,1|H<1>}	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|C<4>}	107.4070	0.000	1	107.4070	0.000	1	107.7628	0.705	5	107.7889	0.531	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	108.6660	0.042	2	108.6660	0.002	2	107.7628	0.705	5	107.7889	0.531	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>}	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|C<4>}	107.0375	0.086	2	107.0375	0.007	2	107.7628	0.705	5	107.7889	0.531	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ir<8>,1|C<4>}	108.2750	0.000	1	108.2750	0.000	1	107.8540	0.354	2	107.7889	0.531	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ru<9>,1|C<4>}	107.4330	0.000	1	107.4330	0.000	1	107.8540	0.354	2	107.7889	0.531	7	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H)	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){2|C<4>}	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	109.1715	1.478	10	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW)	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|B<4>,1|C<4>}	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	109.1715	1.478	10	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	109.1180	0.000	1	109.1180	0.000	1	109.4172	0.324	8	109.1715	1.478	10	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	109.1920	0.000	1	109.1920	0.000	1	109.4172	0.324	8	109.1715	1.478	10	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	108.8345	0.487	2	108.8345	0.237	2	109.4172	0.324	8	109.1715	1.478	10	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	109.8397	0.407	4	109.8397	0.166	4	109.4172	0.324	8	109.1715	1.478	10	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	5:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[6,6]-5:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<2>}	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	111.0050	0.000	1	111.1990	0.075	2	111.1990	0.075	2	111.1990	0.075	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	5:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[6,6]-5:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	111.3930	0.000	1	111.1990	0.075	2	111.1990	0.075	2	111.1990	0.075	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|I<1>}	N[5](C[5]C[5]H)(N[5]C[5]B)(H){1|H<1>,1|I<1>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){2|H<1>}	104.9110	0.000	1	104.9110	0.000	1	105.5440	0.801	2	107.5136	6.607	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|C<4>,1|H<1>}	106.1770	0.000	1	106.1770	0.000	1	105.5440	0.801	2	107.5136	6.607	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	B[6a]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H)	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H)	C[5](N[5]B[6a]N[5])(C[5]C[5]H)(H)	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|B<3>,2|C<3>,2|H<1>}	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[5](N[5]B[6a]N[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	107.5136	6.607	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	107.5136	6.607	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5]C[5]2Re)(C[5]C[5]H)(N[5]N[5]H)	N[5](N[5]C[5]Re)(N[5]C[5]2)(H)	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H)	N[5](C[5]C[5]2Re)(C[5]C[5]H)(N[5]N[5]H){1|Re<6>,1|C<2>,2|C<4>,2|H<1>}	N[5](N[5]C[5]Re)(N[5]C[5]2)(H){1|Re<8>,1|C<2>,1|H<1>,2|C<4>}	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H){1|Re<6>,1|Re<8>,1|H<1>,2|C<4>}	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	107.5136	6.607	5	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:4:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	106.8980	0.000	1	106.8980	0.000	1	106.8980	0.000	1	109.7780	7.009	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:4:	C-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|H<1>}	111.2180	1.256	2	111.2180	1.577	2	111.2180	1.577	2	109.7780	7.009	3	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B-4:C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	108.0083	0.428	4	108.0083	0.183	4	108.2030	0.342	6	108.2030	0.342	6	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B-4:C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	107.9990	0.000	1	107.9990	0.000	1	108.2030	0.342	6	108.2030	0.342	6	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	B-4:C[5]-3:N[5]-3:	B-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	109.1860	0.000	1	109.1860	0.000	1	108.2030	0.342	6	108.2030	0.342	6	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	5:3:3:	3:3:4:	3:3:4:	Ga[6,6]-5:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|C<3>,3|H<1>,5|C<4>}	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){2|C<4>,2|N<4>,2|O<2>}	104.9480	0.000	1	105.6855	1.088	2	105.6855	1.088	2	105.6855	1.088	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP2	N[5]	N[5]	C[5]	5:3:3:	3:3:4:	3:3:4:	Ga[6,6]-5:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|H<1>,3|C<3>,4|C<4>}	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<2>}	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){1|N<3>,1|N<4>,2|C<4>,2|O<2>}	106.4230	0.000	1	105.6855	1.088	2	105.6855	1.088	2	105.6855	1.088	2	108.8905	1.940	521	108.7682	2.341	757
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	C[5](N[5,5]C[5,6a]N[5,5])(N[5]C[6a]C[5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	C[5](N[5,5]C[5,6a]N[5,5])(N[5]C[6a]C[5])(O){1|C<4>,6|C<3>}	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:3:3:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	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){1|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	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>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.1370	0.028	2	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-3:N-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(NHH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.1370	0.028	2	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	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>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,3|C<3>}	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.5280	0.000	1	113.5280	0.000	1	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.4830	0.393	2	112.4830	0.155	2	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.6700	0.000	1	112.6700	0.000	1	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	111.8860	0.000	1	112.0060	0.241	4	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	111.9380	0.796	2	112.0060	0.241	4	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|O<2>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	112.2620	0.000	1	112.0060	0.241	4	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HO)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|O<2>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HO)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.7760	0.000	1	111.7760	0.000	1	112.3293	0.400	9	112.4519	0.542	11	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:N[5]-3:C-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(N[5]C[5]Pt)(CCHH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(N[5]C[5]Pt)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){3|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	112.8250	0.000	1	112.8250	0.000	1	111.5863	4.550	4	111.5863	4.550	4	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.4840	0.000	1	108.4840	0.000	1	111.5863	4.550	4	111.5863	4.550	4	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.9040	0.000	1	111.9040	0.000	1	111.5863	4.550	4	111.5863	4.550	4	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	113.1320	0.000	1	113.1320	0.000	1	111.5863	4.550	4	111.5863	4.550	4	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	3:4:4:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,7|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,7|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	113.3530	0.000	1	113.3530	0.000	1	112.8190	1.325	5	112.8190	1.325	5	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	113.7840	0.332	2	113.7840	0.110	2	112.8190	1.325	5	112.8190	1.325	5	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	111.5870	0.086	2	111.5870	0.007	2	112.8190	1.325	5	112.8190	1.325	5	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	4:4:3:	4:3:1:	N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:N[5,5]-3:O-1:	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]N[5,5])(O)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]N[5,5])(O){1|C<3>,3|H<1>,5|C<4>}	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,2|C<3>,8|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.0721	2.144	8	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	112.6500	0.000	1	113.7050	2.226	2	113.0731	2.502	7	113.0721	2.144	8	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	114.7600	0.000	1	113.7050	2.226	2	113.0731	2.502	7	113.0721	2.144	8	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O){5|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	112.7867	1.970	4	112.7867	3.881	4	113.0731	2.502	7	113.0721	2.144	8	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,7|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|H<1>,3|C<4>}	112.9550	0.000	1	112.9550	0.000	1	113.0731	2.502	7	113.0721	2.144	8	112.2771	2.939	35	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	3:4:4:	3:4:1:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6]-3:C[6]-4:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>}	110.5760	0.000	1	110.5760	0.000	1	112.0470	4.328	2	112.0470	4.328	2	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	3:4:4:	3:4:1:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6]-3:C[6]-4:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>}	113.5180	0.000	1	113.5180	0.000	1	112.0470	4.328	2	112.0470	4.328	2	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,3|H<1>}	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	113.6810	0.000	1	112.9347	0.429	3	112.9347	0.429	3	112.9347	0.429	3	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.5615	0.151	2	112.9347	0.429	3	112.9347	0.429	3	112.9347	0.429	3	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:4:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:4:3:	4:4:3:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	115.4100	0.000	1	115.4100	0.000	1	114.6540	1.143	2	114.6540	1.143	2	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:4:3:	4:4:3:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.8980	0.000	1	113.8980	0.000	1	114.6540	1.143	2	114.6540	1.143	2	113.4542	2.221	9	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O){1|H<1>,2|C<4>}	110.3685	0.414	2	110.3685	0.171	2	112.4642	5.978	4	112.4642	5.978	4	112.4642	5.978	4	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O){1|H<1>,2|C<4>}	114.8710	0.000	1	114.8710	0.000	1	112.4642	5.978	4	112.4642	5.978	4	112.4642	5.978	4	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O){1|H<1>,2|C<4>}	114.2490	0.000	1	114.2490	0.000	1	112.4642	5.978	4	112.4642	5.978	4	112.4642	5.978	4	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:N[5]-3:	C[5]-3:N[5]-3:C-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH){1|C<3>,1|C<4>,1|H<1>}	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	112.0369	5.088	7	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	113.0080	0.000	2	112.9127	0.027	3	112.4884	0.450	5	112.4884	0.450	5	112.0369	5.088	7	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	112.7220	0.000	1	112.9127	0.027	3	112.4884	0.450	5	112.4884	0.450	5	112.0369	5.088	7	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(O)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(O){1|C<4>,1|H<1>,3|C<3>}	111.8520	0.628	2	111.8520	0.394	2	112.4884	0.450	5	112.4884	0.450	5	112.0369	5.088	7	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	C[5](C[5]C[5,6]HH)(N[5]N[5,6]C)(O)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]N[5,6]C)(O){1|H<1>,2|C<4>}	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	112.0369	5.088	7	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	108.3740	0.000	2	108.3740	0.000	2	108.3740	0.000	2	108.3740	0.000	2	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	3:4:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	115.2467	0.585	4	115.2467	0.342	4	115.2467	0.342	4	115.2467	0.342	4	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<4>}	115.1640	0.264	2	115.1640	0.070	2	114.9992	0.705	11	114.9992	0.705	11	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<4>,2|H<1>}	115.1972	0.778	4	115.1972	0.605	4	114.9992	0.705	11	114.9992	0.705	11	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<4>,2|H<1>}	115.4800	0.543	2	115.4800	0.295	2	114.9992	0.705	11	114.9992	0.705	11	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<4>,2|H<1>}	113.7905	1.078	2	113.7905	1.163	2	114.9992	0.705	11	114.9992	0.705	11	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	115.3330	0.000	1	115.3330	0.000	1	114.9992	0.705	11	114.9992	0.705	11	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<4>,2|H<1>}	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	114.2515	2.211	2	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){3|C<4>}	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	114.2515	2.211	2	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	109.8720	0.878	2	109.8720	0.771	2	109.8720	0.771	2	109.8720	0.771	2	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-2:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a])	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a]){1|O<2>,3|C<3>}	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5,5]-4:O-1:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,7|C<3>}	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[5,5]-4:O-1:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	113.5900	0.174	3	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CH)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	113.1690	0.000	1	113.1690	0.000	1	113.5855	0.347	2	113.5900	0.174	3	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	114.0020	0.000	1	114.0020	0.000	1	113.5855	0.347	2	113.5900	0.174	3	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[5]-4:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	113.6050	0.000	1	113.6050	0.000	1	113.6050	0.000	1	113.6050	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|H<1>,2|C<4>}	112.0690	0.000	1	112.0690	0.000	1	111.8872	0.780	6	111.8872	0.780	6	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	111.5140	1.225	3	111.5140	1.499	3	111.8872	0.780	6	111.8872	0.780	6	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<3>,2|H<1>}	112.4270	0.000	1	112.4270	0.000	1	111.8872	0.780	6	111.8872	0.780	6	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]H)(CC[5]O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]H)(CC[5]O){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|H<1>,2|C<4>}	112.2850	0.000	1	112.2850	0.000	1	111.8872	0.780	6	111.8872	0.780	6	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	113.3850	0.406	2	113.3850	0.165	2	113.3070	0.086	4	113.3070	0.086	4	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O){2|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){3|C<4>}	113.2290	0.263	2	113.2290	0.069	2	113.3070	0.086	4	113.3070	0.086	4	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<4>,1|S<2>}	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd){2|H<1>}	108.6770	0.000	1	108.0853	0.271	3	108.0853	0.271	3	108.0853	0.271	3	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<5>,1|H<1>}	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<5>,1|S<2>}	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd){2|H<1>}	107.7895	0.134	2	108.0853	0.271	3	108.0853	0.271	3	108.0853	0.271	3	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](N[5]C[5]C)2(H)	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){1|Ru<9>,1|C<4>,2|C<3>}	N[5](N[5]C[5]C)2(H){1|Ru<9>,1|C<3>}	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>}	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C)	C[5](N[5]N[5]C)(S[5]C[5])(CHH)	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH){1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C){2|Cl<1>,3|C<3>}	C[5](N[5]N[5]C)(S[5]C[5])(CHH){1|C<3>,1|N<2>}	113.4550	0.000	1	113.4550	0.000	1	113.4550	0.000	1	113.4550	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:4:3:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<3>,2|H<1>}	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	114.4810	0.757	3	114.4810	0.574	3	114.4030	0.407	4	114.4030	0.407	4	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	114.1690	0.000	1	114.1690	0.000	1	114.4030	0.407	4	114.4030	0.407	4	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP2_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH){1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	113.0147	6.072	49	112.7175	4.632	104
542	542	818	5:SP3_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	110.2710	0.000	2	110.2710	0.000	2	110.2710	0.000	2	110.2710	0.000	2	109.2218	8.169	8	109.2218	8.169	8
542	542	818	5:SP3_SP2_SP2	N[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	108.7460	1.687	2	108.7460	2.846	2	108.7460	2.846	2	108.7460	2.846	2	109.2218	8.169	8	109.2218	8.169	8
542	542	818	5:SP3_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-2:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a])	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a]){1|O<2>,3|C<3>}	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	109.2218	8.169	8	109.2218	8.169	8
542	542	818	5:SP3_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:S[5]-2:N-2:	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	C[5](N[5]C[6a]N[5])(S[5]C[5])(NC[6a])	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C){2|Cl<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH){1|N<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(S[5]C[5])(NC[6a]){1|C<4>,3|C<3>}	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	109.2218	8.169	8	109.2218	8.169	8
542	542	818	5:SP3_SP2_SP2	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,2|H<1>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	109.2218	8.169	8	109.2218	8.169	8
542	542	818	5:SP3_SP2_SP2	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	106.2030	0.000	1	106.2030	0.000	1	106.2030	0.000	1	106.2030	0.000	1	109.2218	8.169	8	109.2218	8.169	8
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5,6]	C[5]	3:3:3:	4:4:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(H)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>}	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.2210	0.143	5	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5]-3:C[5]-3:C-3:	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(COO)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(COO){1|C<3>,1|O<1>,3|C<4>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.2210	0.143	5	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5,6]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	107.7320	0.000	1	107.7320	0.000	1	108.1860	0.412	2	108.1860	0.412	2	108.2210	0.143	5	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5,6]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	108.6400	0.000	1	108.6400	0.000	1	108.1860	0.412	2	108.1860	0.412	2	108.2210	0.143	5	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5,6]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5,5]-4:N[5,5,6]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5,6]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O)	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5](N[5,5]N[5,5,6]C[5,5])(C[5]C[5,6]HH)(O)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,4|C<3>,8|H<1>}	C[5](N[5,5]N[5,5,6]C[5,5])(C[5]C[5,6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.2210	0.143	5	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:3:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-3:H-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,7|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	111.3850	0.000	1	111.3850	0.000	1	111.8720	0.474	2	111.8720	0.474	2	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,2|H<1>}	112.3590	0.000	1	112.3590	0.000	1	111.8720	0.474	2	111.8720	0.474	2	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:3:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCC)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,7|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:2:4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:N[5]-2:C-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(CCHH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	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){4|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	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>}	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	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>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,3|C<3>}	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	110.5463	1.298	4	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	111.4420	0.290	2	111.4420	0.084	2	110.6620	1.867	3	110.5463	1.298	4	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|N<3>,2|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	109.1020	0.000	1	109.1020	0.000	1	110.6620	1.867	3	110.5463	1.298	4	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:3:	4:4:3:	3:4:3:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:C-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCO)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.6550	0.083	2	106.6550	0.007	2	106.6550	0.007	2	106.6550	0.007	2	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:3:4:	4:4:3:	4:3:1:	N[5,5]-3:C[5]-3:C[5]-4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	C[5,5,6]-4:N[5,5]-3:O-1:	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]N[5,5]C[5])(O)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH){4|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]N[5,5]C[5])(O){4|H<1>,5|C<4>}	114.3130	0.000	1	114.3130	0.000	1	114.3130	0.000	1	114.3130	0.000	1	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	112.6960	0.000	1	112.6960	0.000	1	112.2020	0.185	3	112.2020	0.185	3	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	3:4:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,4|H<1>}	111.9550	0.064	2	111.9550	0.004	2	112.2020	0.185	3	112.2020	0.185	3	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	3:4:4:	3:4:1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,8|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	113.7620	0.409	3	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	113.3400	0.000	1	113.3400	0.000	1	113.3940	0.006	2	113.7620	0.409	3	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,5]	N[5,5]	C[5]	4:3:3:	4:3:4:	3:4:1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:O-1:	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	113.4480	0.000	1	113.4480	0.000	1	113.3940	0.006	2	113.7620	0.409	3	111.1554	6.333	20	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	113.7850	0.000	1	114.2045	0.352	2	114.1997	0.176	3	114.1997	0.176	3	114.1997	0.176	3	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	114.6240	0.000	1	114.2045	0.352	2	114.1997	0.176	3	114.1997	0.176	3	114.1997	0.176	3	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5,6]	N[5,6]	C[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	114.1900	0.000	1	114.1900	0.000	1	114.1997	0.176	3	114.1997	0.176	3	114.1997	0.176	3	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:2:	N[5,5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO)	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	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){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	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>}	104.4190	0.000	1	104.4190	0.000	1	104.4190	0.000	1	104.4190	0.000	1	104.4190	0.000	1	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H)	C[5](C[5]C[5,6]HH)(N[5]N[5,6]H)(O)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]N[5,6]H)(O){1|H<1>,2|C<4>}	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	107.9450	0.000	1	107.9450	0.000	1	107.2900	0.858	2	107.2900	0.858	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN)	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN){1|H<1>,1|N<3>}	106.6350	0.000	1	106.6350	0.000	1	107.2900	0.858	2	107.2900	0.858	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5]C)(H)	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<3>,2|H<1>}	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){2|H<1>,3|C<3>}	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO){1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	109.0075	6.185	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<3>,1|O<1>}	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	109.0075	6.185	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-2:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a])	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a]){1|O<2>,3|C<3>}	105.5835	0.121	2	105.5835	0.015	2	105.5835	0.015	2	105.5835	0.015	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:N-3:	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<3>,4|C<3>,4|H<1>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<3>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC){1|N<3>,3|C<3>}	109.0635	0.667	2	109.0635	0.445	2	109.0635	0.445	2	109.0635	0.445	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-2:N-3:	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	C[5](N[5]C[6a]N[5])(N[5]C[5])(NHH)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5])(NHH){1|C<4>,1|N<3>,2|C<3>}	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi){2|C<3>,2|C<4>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5,5]-4:O-1:	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,7|C<3>}	111.3800	0.000	1	111.3800	0.000	1	111.3800	0.000	1	111.3800	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|H<1>,2|C<3>}	108.6070	0.429	3	108.6070	0.184	3	108.6070	0.184	3	108.6070	0.184	3	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	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){4|C<3>}	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){2|H<1>,5|C<3>}	103.4520	0.000	1	103.4520	0.000	1	103.4520	0.000	1	103.4520	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	C[5](N[5]N[5]C)(N[5]C[5])(NHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]N[5]C)(N[5]C[5])(NHH){1|C<3>,1|N<3>}	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	109.2710	0.000	1	109.2710	0.000	1	109.8505	0.672	2	109.8505	0.672	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH)	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	110.4300	0.000	1	110.4300	0.000	1	109.8505	0.672	2	109.8505	0.672	2	108.2566	7.101	25	109.6067	9.005	55
542	542	818	5:SP3_SP2_SP3	N[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	108.2566	7.101	25	109.6067	9.005	55