537	727	813	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	103.7570	0.034	2	103.7570	0.001	2	103.7570	0.001	2	103.7570	0.001	2	103.7570	0.001	2	105.7507	3.532	7
537	727	813	5:SP2_SP2_SP2	O[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]N[5a,6a])(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]N[5a,6a])(O){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	105.7507	3.532	7
537	727	813	5:SP2_SP2_SP2	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a]-3:O[5a]-2:S-4:	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	107.6355	3.123	2	106.8545	2.727	4	105.7507	3.532	7
537	727	813	5:SP2_SP2_SP2	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	107.6355	3.123	2	106.8545	2.727	4	105.7507	3.532	7
537	727	813	5:SP2_SP2_SP2	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[6]-4:C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O){1|C<4>,1|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	106.8545	2.727	4	105.7507	3.532	7
537	727	813	5:SP2_SP2_SP2	O[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	104.9290	0.000	1	104.9290	0.000	1	104.9290	0.000	1	104.9290	0.000	1	106.8545	2.727	4	105.7507	3.532	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:O[5a]-2:S-4:	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH)	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S){1|O<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH){1|O<1>,1|S<4>}	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO){1|N<2>}	103.3680	0.000	1	103.3680	0.000	1	103.3680	0.000	1	103.3680	0.000	1	107.0313	2.825	7	107.0313	2.825	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|O<1>,2|C<3>}	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	107.0313	2.825	7	107.0313	2.825	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(O){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH){1|O<1>,2|C<3>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	107.0313	2.825	7	107.0313	2.825	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	107.6300	0.000	1	107.6300	0.000	1	107.6750	0.016	3	107.6750	0.016	3	107.0313	2.825	7	107.0313	2.825	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	107.5770	0.000	1	107.5770	0.000	1	107.6750	0.016	3	107.6750	0.016	3	107.0313	2.825	7	107.0313	2.825	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	107.8180	0.000	1	107.8180	0.000	1	107.6750	0.016	3	107.6750	0.016	3	107.0313	2.825	7	107.0313	2.825	7
537	727	813	5:SP2_SP2_SP3	O[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[6]-4:C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(O){1|C<4>,1|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.0313	2.825	7	107.0313	2.825	7
538	474	474	0:SPD5_SP3_SP3	Ge[5,5]	C[5]	C[5]	4:4:2:2:1:	5:3:1:1:	5:3:1:1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	Ge[5,5]-5:N[5]-3:H-1:H-1:	Ge[5,5]-5:N[5]-3:H-1:H-1:	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	144.8630	0.000	1	144.8630	0.000	1	144.8630	0.000	1	144.8630	0.000	1	144.8630	0.000	1	144.8630	0.000	1
538	474	790	0:SPD5_SP-NON_SP3	Ge[5,5]	C[5]	Cl	4:4:2:2:1:	5:3:1:1:	5:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	Ge[5,5]-5:N[5]-3:H-1:H-1:	Ge[5,5]-5:	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	Cl(Ge[5,5]C[5]2O[5]2)	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(Ge[5,5]C[5]2O[5]2)	107.5600	1.826	2	107.5600	3.333	2	107.5600	3.333	2	107.5600	3.333	2	107.5600	3.333	2	107.5600	3.333	2
538	474	976	0:SPD5_SP2_SP3	Ge[5,5]	C[5]	O[5]	4:4:2:2:1:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	Ge[5,5]-5:N[5]-3:H-1:H-1:	Ge[5,5]-5:C[5]-3:	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	93.7908	0.419	2	93.7908	0.175	2	93.7908	0.175	2	93.7908	0.175	2	93.7908	0.175	2	93.7908	0.175	2
538	474	976	5:SPD5_SP2_SP3	Ge[5,5]	C[5]	O[5]	4:4:2:2:1:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	Ge[5,5]-5:N[5]-3:H-1:H-1:	Ge[5,5]-5:C[5]-3:	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	84.0961	0.206	2	84.0961	0.043	2	84.0961	0.043	2	84.0961	0.043	2	84.0961	0.043	2	84.0961	0.043	2
538	490	813	0:SPD5_SP2_SP3	Ge[5,3x6]	C	N[5,5a,6]	3:3:3:3:4:	5:1:1:1:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:H-1:H-1:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)3	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)3	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	107.0565	0.842	2	107.0565	0.709	2	107.0565	0.709	2	107.0565	0.709	2	105.7070	6.020	4	106.2950	6.479	8
538	490	813	0:SPD5_SP2_SP3	Ge[5,3x6]	C	N[5,5a,6]	3:3:3:3:4:	5:4:1:1:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C-4:H-1:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	104.3575	3.173	2	104.3575	10.067	2	104.3575	10.067	2	104.3575	10.067	2	105.7070	6.020	4	106.2950	6.479	8
538	490	813	0:SPD5_SP2_SP3	Ge[5,3x6]	C	N[5a,6,6]	3:3:3:3:4:	5:1:1:1:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:H-1:H-1:H-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)3	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)3	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	105.3800	0.741	2	105.3800	0.549	2	105.3800	0.549	2	105.3800	0.549	2	106.8830	8.175	4	106.2950	6.479	8
538	490	813	0:SPD5_SP2_SP3	Ge[5,3x6]	C	N[5a,6,6]	3:3:3:3:4:	5:4:1:1:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C-4:H-1:H-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	108.3860	3.865	2	108.3860	14.939	2	108.3860	14.939	2	108.3860	14.939	2	106.8830	8.175	4	106.2950	6.479	8
538	490	891	0:SPD5_SP3_SP3	Ge[5,5]	C	S[5]	2:2:2:2:4:	5:1:1:1:	5:4:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Ge[5,5]-5:H-1:H-1:H-1:	Ge[5,5]-5:C[5]-4:	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	C(Ge[5,5]O[5]2S[5]2)(H)3	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	C(Ge[5,5]O[5]2S[5]2)(H)3	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	119.1315	0.045	2	119.1315	0.002	2	119.1315	0.002	2	119.1315	0.002	2	119.1315	0.002	2	119.1315	0.002	2
538	490	976	0:SPD5_SP2_SP3	Ge[5,5]	C	O[5]	2:2:2:2:4:	5:1:1:1:	5:3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Ge[5,5]-5:H-1:H-1:H-1:	Ge[5,5]-5:C[5]-3:	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	C(Ge[5,5]O[5]2S[5]2)(H)3	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	C(Ge[5,5]O[5]2S[5]2)(H)3	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	97.1450	1.853	2	97.1450	3.434	2	97.1450	3.434	2	97.1450	3.434	2	97.1450	3.434	2	97.1450	3.434	2
538	538	727	0:SPD5_SP2_SPD5	Ge[5,5]	Ge[5,5]	C[5,6a]	5:3:3:2:2:	5:3:3:2:2:	5:3:3:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	120.0678	0.941	4	120.0678	0.885	4	120.0678	0.885	4	120.0678	0.885	4	120.0678	0.885	4	120.0678	0.885	4
538	538	976	0:SPD5_SP3_SPD5	Ge[5,5]	Ge[5,5]	O[5]	5:3:3:2:2:	5:3:3:2:2:	5:4:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5]-4:	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	92.9393	0.424	4	92.9393	0.179	4	92.9393	0.179	4	92.9393	0.179	4	92.9393	0.179	4	92.9393	0.179	4
538	542	790	0:SPD5_SP-NON_SP2	Ge[5]	N[5]	Cl	3:3:1:1:1:	4:5:3:	5:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	P[5]-4:Ge[5]-5:C[6a]-3:	Ge[5]-5:	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2)	Cl(Ge[5]C[5]N[5]Cl2)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Cl(Ge[5]C[5]N[5]Cl2)	112.4361	21.937	3	112.4361	481.229	3	112.4361	481.229	3	112.4361	481.229	3	112.4361	481.229	3	112.4361	481.229	3
538	542	818	5:SPD5_SP2_SP2	Ge[5]	N[5]	C[5]	3:3:1:1:1:	4:5:3:	5:3:3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	P[5]-4:Ge[5]-5:C[6a]-3:	Ge[5]-5:C[5]-3:C-3:	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2)	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO){3|C<3>}	87.1623	0.000	1	87.1623	0.000	1	87.1623	0.000	1	87.1623	0.000	1	87.1623	0.000	1	87.1623	0.000	1
538	643	813	0:SPD5_SP2_SP2	Ge[5,3x6]	C[6a]	N[5,5a,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[6a]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[6a](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[6a](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	107.1310	2.843	2	107.1310	8.080	2	107.1310	8.080	2	107.1310	8.080	2	107.1310	8.080	2	105.7578	6.073	4
538	643	813	0:SPD5_SP2_SP2	Ge[5,3x6]	C[6a]	N[5a,6,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[6a]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[6a](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[6a](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	104.3845	1.611	2	104.3845	2.597	2	104.3845	2.597	2	104.3845	2.597	2	104.3845	2.597	2	105.7578	6.073	4
538	727	727	0:SPD5_SP2_SP2	Ge[5,5]	C[5,6a]	C[5,6a]	5:3:3:2:2:	5:3:3:	5:3:3:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	119.8615	1.112	2	119.8615	1.237	2	119.8615	1.237	2	119.8615	1.237	2	119.8615	1.237	2	119.8615	1.237	2
538	727	976	0:SPD5_SP2_SP3	Ge[5,5]	C[5,6a]	O[5]	5:3:3:2:2:	5:3:3:	5:4:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5]-5:C[5]-4:	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	94.1180	0.814	4	94.1180	0.662	4	94.1180	0.662	4	94.1180	0.662	4	94.1180	0.662	4	94.1180	0.662	4
538	727	976	5:SPD5_SP2_SP3	Ge[5,5]	C[5,6a]	O[5]	5:3:3:2:2:	5:3:3:	5:4:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	Ge[5,5]-5:C[5]-4:	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	82.9286	0.302	4	82.9286	0.091	4	82.9286	0.091	4	82.9286	0.091	4	82.9286	0.091	4	82.9286	0.091	4
538	790	790	0:SPD5_SP-NON_SP-NON	Ge[5]	Cl	Cl	2:2:3:1:1:	5:	5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	Ge[5]-5:	Ge[5]-5:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	Cl(Ge[5]C[5]O[5]2Cl)	Cl(Ge[5]C[5]O[5]2Cl)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	Cl(Ge[5]C[5]O[5]2Cl)	Cl(Ge[5]C[5]O[5]2Cl)	96.6734	0.000	1	96.6734	0.000	1	96.6734	0.000	1	96.6734	0.000	1	97.6331	115.593	4	97.6331	115.593	4
538	790	790	0:SPD5_SP-NON_SP-NON	Ge[5]	Cl	Cl	3:3:1:1:1:	5:	5:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	Ge[5]-5:	Ge[5]-5:	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	Cl(Ge[5]C[5]N[5]Cl2)	Cl(Ge[5]C[5]N[5]Cl2)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	Cl(Ge[5]C[5]N[5]Cl2)	Cl(Ge[5]C[5]N[5]Cl2)	97.9530	13.144	3	97.9530	172.775	3	97.9530	172.775	3	97.9530	172.775	3	97.6331	115.593	4	97.6331	115.593	4
538	790	818	0:SPD5_SP-NON_SP2	Ge[5]	Cl	C[5]	2:2:3:1:1:	5:	5:3:3:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	Ge[5]-5:	Ge[5]-5:N[5]-3:N[5]-3:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	Cl(Ge[5]C[5]O[5]2Cl)	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	Cl(Ge[5]C[5]O[5]2Cl)	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	102.4546	15.841	2	102.4546	250.943	2	102.4546	250.943	2	102.4546	250.943	2	112.2524	1255.305	5	112.2524	1255.305	5
538	790	818	0:SPD5_SP-NON_SP2	Ge[5]	Cl	C[5]	3:3:1:1:1:	5:	5:3:3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	Ge[5]-5:	Ge[5]-5:C[5]-3:C-3:	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	Cl(Ge[5]C[5]N[5]Cl2)	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	Cl(Ge[5]C[5]N[5]Cl2)	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO){3|C<3>}	118.7842	47.171	3	118.7842	2225.144	3	118.7842	2225.144	3	118.7842	2225.144	3	112.2524	1255.305	5	112.2524	1255.305	5
538	790	976	0:SPD5_SP-NON_SP2	Ge[5,5]	Cl	O[5]	4:4:2:2:1:	5:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	Ge[5,5]-5:	Ge[5,5]-5:C[5]-3:	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	Cl(Ge[5,5]C[5]2O[5]2)	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	Cl(Ge[5,5]C[5]2O[5]2)	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	93.4871	1.285	2	93.4871	1.651	2	93.4871	1.651	2	93.4871	1.651	2	93.4871	1.651	2	108.2206	961.019	6
538	790	976	0:SPD5_SP-NON_SP2	Ge[5]	Cl	O[5]	2:2:3:1:1:	5:	3:5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	Ge[5]-5:	C[5,6a]-3:Ge[5]-5:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	Cl(Ge[5]C[5]O[5]2Cl)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	Cl(Ge[5]C[5]O[5]2Cl)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|C<4>,2|C<3>,2|N<3>}	99.7679	20.055	2	115.5874	1384.072	4	115.5874	1384.072	4	115.5874	1384.072	4	115.5874	1384.072	4	108.2206	961.019	6
538	790	976	0:SPD5_SP-NON_SP2	Ge[5]	Cl	O[5]	2:2:3:1:1:	5:	3:5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	Ge[5]-5:	C[5,6a]-3:Ge[5]-5:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	Cl(Ge[5]C[5]O[5]2Cl)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	Cl(Ge[5]C[5]O[5]2Cl)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|H<1>,2|C<3>,2|N<3>}	131.4068	52.431	2	115.5874	1384.072	4	115.5874	1384.072	4	115.5874	1384.072	4	115.5874	1384.072	4	108.2206	961.019	6
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:1:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	156.9965	0.329	2	156.9965	0.108	2	156.9965	0.108	2	156.9965	0.108	2	153.7140	40.842	22	153.7140	40.842	22
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	160.3075	7.411	6	160.3075	54.920	6	156.1080	37.211	14	156.1080	37.211	14	153.7140	40.842	22	153.7140	40.842	22
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	153.8467	1.348	4	153.8467	1.818	4	156.1080	37.211	14	156.1080	37.211	14	153.7140	40.842	22	153.7140	40.842	22
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	152.0700	2.016	4	152.0700	4.065	4	156.1080	37.211	14	156.1080	37.211	14	153.7140	40.842	22	153.7140	40.842	22
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	147.8415	1.340	2	147.8415	1.796	2	147.8415	1.796	2	147.8415	1.796	2	153.7140	40.842	22	153.7140	40.842	22
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	146.2780	0.153	2	146.2780	0.023	2	146.6300	0.184	4	146.6300	0.184	4	153.7140	40.842	22	153.7140	40.842	22
538	813	813	0:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	146.9820	0.184	2	146.9820	0.034	2	146.6300	0.184	4	146.6300	0.184	4	153.7140	40.842	22	153.7140	40.842	22
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:1:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	80.0758	0.000	1	80.0758	0.000	1	80.0758	0.000	1	80.0758	0.000	1	79.5668	1.027	11	79.5668	1.027	11
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	80.4085	1.406	3	80.4085	1.978	3	79.9489	0.894	7	79.9489	0.894	7	79.5668	1.027	11	79.5668	1.027	11
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	79.8013	0.157	2	79.8013	0.025	2	79.9489	0.894	7	79.9489	0.894	7	79.5668	1.027	11	79.5668	1.027	11
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	79.4070	0.348	2	79.4070	0.121	2	79.9489	0.894	7	79.9489	0.894	7	79.5668	1.027	11	79.5668	1.027	11
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	78.6070	0.000	1	78.6070	0.000	1	78.6070	0.000	1	78.6070	0.000	1	79.5668	1.027	11	79.5668	1.027	11
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	78.1157	0.000	1	78.1157	0.000	1	78.4552	0.231	2	78.4552	0.231	2	79.5668	1.027	11	79.5668	1.027	11
538	813	813	5:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5,5a,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	78.7947	0.000	1	78.7947	0.000	1	78.4552	0.231	2	78.4552	0.231	2	79.5668	1.027	11	79.5668	1.027	11
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:1:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	88.9909	0.510	2	88.9909	0.260	2	88.9909	0.260	2	88.9909	0.260	2	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	89.2349	1.204	6	89.2349	1.449	6	88.4266	1.152	14	88.4266	1.152	14	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	87.9808	0.342	4	87.9808	0.117	4	88.4266	1.152	14	88.4266	1.152	14	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	87.6600	0.324	4	87.6600	0.105	4	88.4266	1.152	14	88.4266	1.152	14	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	86.2957	0.503	2	86.2957	0.253	2	86.2957	0.253	2	86.2957	0.253	2	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	86.2555	0.136	2	86.2555	0.019	2	86.1885	0.023	3	86.1885	0.023	3	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5,5a,6]	N[5a,6,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	86.0544	0.000	1	86.0544	0.000	1	86.1885	0.023	3	86.1885	0.023	3	87.9577	1.783	21	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:1:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	93.6293	0.000	1	93.6293	0.000	1	93.6293	0.000	1	93.6293	0.000	1	93.0281	2.816	11	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	94.5599	2.233	3	94.5599	4.987	3	93.6641	2.610	7	93.6641	2.610	7	93.0281	2.816	11	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	93.2746	0.912	2	93.2746	0.832	2	93.6641	2.610	7	93.6641	2.610	7	93.0281	2.816	11	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	92.7097	0.569	2	92.7097	0.324	2	93.6641	2.610	7	93.6641	2.610	7	93.0281	2.816	11	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	92.0145	0.000	1	92.0145	0.000	1	92.0145	0.000	1	92.0145	0.000	1	93.0281	2.816	11	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	90.7675	0.000	1	90.7675	0.000	1	91.0084	0.116	2	91.0084	0.116	2	93.0281	2.816	11	89.7006	8.045	32
538	813	813	6:SPD5_SP2_SP2	Ge[5,3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:4:	5:3:3:	5:3:3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	91.2492	0.000	1	91.2492	0.000	1	91.0084	0.116	2	91.0084	0.116	2	93.0281	2.816	11	89.7006	8.045	32
538	813	830	0:SPD5_SP-NON_SP2	Ge[5,3x6]	N[5,5a,6]	F	3:3:3:3:1:	5:3:3:	5:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	F(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	F(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)	101.7745	0.030	2	101.7745	0.001	2	101.7745	0.001	2	101.7745	0.001	2	101.7745	0.001	2	101.0040	0.801	4
538	813	830	0:SPD5_SP-NON_SP2	Ge[5,3x6]	N[5a,6,6]	F	3:3:3:3:1:	5:3:3:	5:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	F(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	F(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)	100.2335	0.162	2	100.2335	0.026	2	100.2335	0.026	2	100.2335	0.026	2	100.2335	0.026	2	101.0040	0.801	4
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5,5a,6]	O	3:3:3:3:2:	5:3:3:	5:1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:H-1:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)	102.9350	2.648	4	102.9350	7.013	4	102.9350	7.013	4	102.9350	7.013	4	101.3540	13.210	13	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5,5a,6]	O	3:3:3:3:2:	5:3:3:	5:4:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C-4:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	101.9780	0.703	2	101.9780	0.494	2	98.6155	7.529	6	98.6155	7.529	6	101.3540	13.210	13	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5,5a,6]	O	3:3:3:3:2:	5:3:3:	5:4:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:C-4:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	96.9343	1.038	4	96.9343	1.078	4	98.6155	7.529	6	98.6155	7.529	6	101.3540	13.210	13	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5,5a,6]	O	3:3:3:3:2:	5:3:3:	5:5:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	Ge[5,3x6]-5:Ge[5,3x6]-5:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)2	104.7230	2.322	3	104.7230	5.393	3	104.7230	5.393	3	104.7230	5.393	3	101.3540	13.210	13	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5a,6,6]	O	3:3:3:3:2:	5:3:3:	5:1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:H-1:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)	104.0275	1.548	4	104.0275	2.397	4	104.0275	2.397	4	104.0275	2.397	4	100.9718	16.386	14	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5a,6,6]	O	3:3:3:3:2:	5:3:3:	5:4:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C-4:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	106.1435	0.702	2	106.1435	0.493	2	99.4376	27.514	6	99.4376	27.514	6	100.9718	16.386	14	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5a,6,6]	O	3:3:3:3:2:	5:3:3:	5:4:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:C-4:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	96.0846	0.850	4	96.0846	0.722	4	99.4376	27.514	6	99.4376	27.514	6	100.9718	16.386	14	101.1558	14.328	27
538	813	893	0:SPD5_SP2_SP3	Ge[5,3x6]	N[5a,6,6]	O	3:3:3:3:2:	5:3:3:	5:5:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[5,3x6]-5:Ge[5,3x6]-5:	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)2	100.2175	2.199	4	100.2175	4.837	4	100.2175	4.837	4	100.2175	4.837	4	100.9718	16.386	14	101.1558	14.328	27
538	818	891	0:SPD5_SP2_SP2	Ge[5,5]	C[5]	S[5]	2:2:2:2:3:	5:3:3:	5:3:	S[5]-2:S[5]-2:S[5]-2:S[5]-2:C[5]-3:	Ge[5,5]-5:N[5]-3:N[5]-3:	Ge[5,5]-5:C[5,5]-3:	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2)	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5])	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2{2|C<4>,4|C<3>}	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5]){3|N<3>,4|C<3>}	104.7429	19.889	4	104.7429	395.554	4	104.7429	395.554	4	104.7429	395.554	4	104.7429	395.554	4	104.7429	395.554	4
538	818	976	0:SPD5_SP2_SP2	Ge[5,5]	C[5]	O[5]	2:2:2:2:3:	5:3:3:	3:5:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C[5]-3:	Ge[5,5]-5:N[5]-3:N[5]-3:	C[5,6a]-3:Ge[5,5]-5:	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2)	C[5](Ge[5,5]O[5]4)(N[5]C[5]C)2	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2){8|C<3>}	C[5](Ge[5,5]O[5]4)(N[5]C[5]C)2{2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	108.0625	24.450	4	108.0625	597.788	4	108.0625	597.788	4	108.0625	597.788	4	108.0625	597.788	4	108.6688	561.236	6
538	818	976	0:SPD5_SP2_SP2	Ge[5]	C[5]	O[5]	2:2:3:1:1:	5:3:3:	3:5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	Ge[5]-5:N[5]-3:N[5]-3:	C[5,6a]-3:Ge[5]-5:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|C<4>,2|C<3>,2|N<3>}	132.3360	0.000	1	109.8816	1008.405	2	109.8816	1008.405	2	109.8816	1008.405	2	109.8816	1008.405	2	108.6688	561.236	6
538	818	976	0:SPD5_SP2_SP2	Ge[5]	C[5]	O[5]	2:2:3:1:1:	5:3:3:	3:5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	Ge[5]-5:N[5]-3:N[5]-3:	C[5,6a]-3:Ge[5]-5:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|H<1>,2|C<3>,2|N<3>}	87.4271	0.000	1	109.8816	1008.405	2	109.8816	1008.405	2	109.8816	1008.405	2	109.8816	1008.405	2	108.6688	561.236	6
538	891	891	0:SPD5_SP2_SP2	Ge[5,5]	S[5]	S[5]	2:2:2:2:3:	5:3:	5:3:	S[5]-2:S[5]-2:S[5]-2:S[5]-2:C[5]-3:	Ge[5,5]-5:C[5,5]-3:	Ge[5,5]-5:C[5,5]-3:	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2)	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5])	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5])	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5]){3|N<3>,4|C<3>}	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5]){3|N<3>,4|C<3>}	116.9004	40.912	4	116.9004	1673.781	4	116.9004	1673.781	4	116.9004	1673.781	4	116.9004	1673.781	4	116.9004	1673.781	4
538	891	891	0:SPD5_SP3_SP3	Ge[5,5]	S[5]	S[5]	2:2:2:2:4:	5:4:	5:4:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Ge[5,5]-5:C[5]-4:	Ge[5,5]-5:C[5]-4:	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH)	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1
538	891	891	5:SPD5_SP2_SP2	Ge[5,5]	S[5]	S[5]	2:2:2:2:3:	5:3:	5:3:	S[5]-2:S[5]-2:S[5]-2:S[5]-2:C[5]-3:	Ge[5,5]-5:C[5,5]-3:	Ge[5,5]-5:C[5,5]-3:	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2)	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5])	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5])	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5]){3|N<3>,4|C<3>}	S[5](Ge[5,5]C[5]S[5]3)(C[5,5]C[5,5]N[5]){3|N<3>,4|C<3>}	94.3774	0.295	2	94.3774	0.087	2	94.3774	0.087	2	94.3774	0.087	2	94.3774	0.087	2	94.3774	0.087	2
538	891	976	0:SPD5_SP2_SP3	Ge[5,5]	S[5]	O[5]	2:2:2:2:4:	5:4:	5:3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Ge[5,5]-5:C[5]-4:	Ge[5,5]-5:C[5]-3:	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH)	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	86.2723	1.324	2	86.2723	1.753	2	86.2723	1.753	2	86.2723	1.753	2	86.2723	1.753	2	86.2723	1.753	2
538	891	976	5:SPD5_SP2_SP3	Ge[5,5]	S[5]	O[5]	2:2:2:2:4:	5:4:	5:3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Ge[5,5]-5:C[5]-4:	Ge[5,5]-5:C[5]-3:	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH)	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	S[5](Ge[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	86.7859	0.250	2	86.7859	0.063	2	86.7859	0.063	2	86.7859	0.063	2	86.7859	0.063	2	86.7859	0.063	2
538	924	976	0:SPD5_SP-NON_SP3	Ge[3x5]	Br	O[5]	4:2:2:2:1:	5:	5:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:	Ge[3x5]-5:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	Br(Ge[3x5]N[3x5]O[5]3)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC)	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	Br(Ge[3x5]N[3x5]O[5]3)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC){2|H<1>,4|C<4>}	94.7264	0.000	1	94.7264	0.000	1	93.8951	0.597	3	93.8951	0.597	3	93.8951	0.597	3	93.8951	0.597	3
538	924	976	0:SPD5_SP-NON_SP3	Ge[3x5]	Br	O[5]	4:2:2:2:1:	5:	5:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:	Ge[3x5]-5:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	Br(Ge[3x5]N[3x5]O[5]3)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	Br(Ge[3x5]N[3x5]O[5]3)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){2|H<1>,4|C<4>}	93.7596	0.000	1	93.4794	0.157	2	93.8951	0.597	3	93.8951	0.597	3	93.8951	0.597	3	93.8951	0.597	3
538	924	976	0:SPD5_SP-NON_SP3	Ge[3x5]	Br	O[5]	4:2:2:2:1:	5:	5:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:	Ge[3x5]-5:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	Br(Ge[3x5]N[3x5]O[5]3)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	Br(Ge[3x5]N[3x5]O[5]3)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){6|C<4>}	93.1993	0.000	1	93.4794	0.157	2	93.8951	0.597	3	93.8951	0.597	3	93.8951	0.597	3	93.8951	0.597	3
538	924	999	0:SPD5_SP-NON_SP3	Ge[3x5]	Br	N[3x5]	4:2:2:2:1:	5:	5:4:4:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	Br(Ge[3x5]N[3x5]O[5]3)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	Br(Ge[3x5]N[3x5]O[5]3)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	179.4580	0.000	1	179.4580	0.000	1	179.4580	0.000	1	179.4580	0.000	1	179.4580	0.000	1	179.4580	0.000	1
538	976	976	0:SPD5_SP2_SP2	Ge[5,5]	O[5]	O[5]	2:2:2:2:3:	3:5:	3:5:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C[5]-3:	C[5,6a]-3:Ge[5,5]-5:	C[5,6a]-3:Ge[5,5]-5:	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2){8|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	116.4706	38.328	4	116.4706	1469.037	4	116.4706	1469.037	4	116.4706	1469.037	4	134.0974	1632.491	6	134.0974	1632.491	6
538	976	976	0:SPD5_SP2_SP2	Ge[5,5]	O[5]	O[5]	2:2:2:2:4:	5:3:	5:3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Ge[5,5]-5:C[5]-3:	Ge[5,5]-5:C[5]-3:	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N)	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	165.6840	0.000	1	165.6840	0.000	1	165.6840	0.000	1	165.6840	0.000	1	134.0974	1632.491	6	134.0974	1632.491	6
538	976	976	0:SPD5_SP2_SP2	Ge[5,5]	O[5]	O[5]	4:4:2:2:1:	5:3:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	Ge[5,5]-5:C[5]-3:	Ge[5,5]-5:C[5]-3:	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	173.0180	0.000	1	173.0180	0.000	1	173.0180	0.000	1	173.0180	0.000	1	134.0974	1632.491	6	134.0974	1632.491	6
538	976	976	0:SPD5_SP3_SP3	Ge[3x5]	O[5]	O[5]	4:2:2:2:1:	5:4:	5:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:C[5]-4:	Ge[3x5]-5:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC){2|H<1>,4|C<4>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){2|H<1>,4|C<4>}	119.4940	0.000	1	119.1330	0.261	2	119.5437	0.636	3	119.5437	0.636	3	119.5437	0.636	3	141.3626	892.954	5
538	976	976	0:SPD5_SP3_SP3	Ge[3x5]	O[5]	O[5]	4:2:2:2:1:	5:4:	5:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:C[5]-4:	Ge[3x5]-5:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC){2|H<1>,4|C<4>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){6|C<4>}	118.7720	0.000	1	119.1330	0.261	2	119.5437	0.636	3	119.5437	0.636	3	119.5437	0.636	3	141.3626	892.954	5
538	976	976	0:SPD5_SP3_SP3	Ge[3x5]	O[5]	O[5]	4:2:2:2:1:	5:4:	5:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:C[5]-4:	Ge[3x5]-5:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){2|H<1>,4|C<4>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){6|C<4>}	120.3650	0.000	1	120.3650	0.000	1	119.5437	0.636	3	119.5437	0.636	3	119.5437	0.636	3	141.3626	892.954	5
538	976	976	0:SPD5_SP3_SP3	Ge[5,5]	O[5]	O[5]	5:3:3:2:2:	5:4:	5:4:	Ge[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	Ge[5,5]-5:C[5]-4:	Ge[5,5]-5:C[5]-4:	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC)	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC)	Ge[5,5](Ge[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	174.0910	0.223	2	174.0910	0.050	2	174.0910	0.050	2	174.0910	0.050	2	174.0910	0.050	2	141.3626	892.954	5
538	976	976	5:SPD5_SP2_SP2	Ge[5,5]	O[5]	O[5]	2:2:2:2:3:	3:5:	3:5:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C[5]-3:	C[5,6a]-3:Ge[5,5]-5:	C[5,6a]-3:Ge[5,5]-5:	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2){8|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	88.6476	0.076	2	88.6476	0.006	2	88.6476	0.006	2	88.6476	0.006	2	88.6476	0.006	2	88.0493	1.077	3
538	976	976	5:SPD5_SP2_SP2	Ge[5]	O[5]	O[5]	2:2:3:1:1:	3:5:	3:5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:Ge[5]-5:	C[5,6a]-3:Ge[5]-5:	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|C<4>,2|C<3>,2|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|H<1>,2|C<3>,2|N<3>}	86.8528	0.000	1	86.8528	0.000	1	86.8528	0.000	1	86.8528	0.000	1	86.8528	0.000	1	88.0493	1.077	3
538	976	999	5:SPD5_SP3_SP3	Ge[3x5]	O[5]	N[3x5]	4:2:2:2:1:	5:4:	5:4:4:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:C[5]-4:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC){2|H<1>,4|C<4>}	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	85.7438	0.000	1	85.7438	0.000	1	86.1061	0.101	3	86.1061	0.101	3	86.1061	0.101	3	86.1061	0.101	3
538	976	999	5:SPD5_SP3_SP3	Ge[3x5]	O[5]	N[3x5]	4:2:2:2:1:	5:4:	5:4:4:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:C[5]-4:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){2|H<1>,4|C<4>}	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	86.2393	0.000	1	86.2873	0.005	2	86.1061	0.101	3	86.1061	0.101	3	86.1061	0.101	3	86.1061	0.101	3
538	976	999	5:SPD5_SP3_SP3	Ge[3x5]	O[5]	N[3x5]	4:2:2:2:1:	5:4:	5:4:4:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	Ge[3x5]-5:C[5]-4:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]HH){6|C<4>}	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	86.3353	0.000	1	86.2873	0.005	2	86.1061	0.101	3	86.1061	0.101	3	86.1061	0.101	3	86.1061	0.101	3
542	2	2	5:SP2_SP2_SP2	N[5]	B[5]	B[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:B[5]-3:	N[5]-3:B[5]-3:N-3:	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N)	B[5](N[5]C[6a]B[5])2(B[5]N[5]2)	B[5](N[5]C[6a]B[5])(B[5]N[5]N)(NCC)	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N){2|H<1>,3|C<3>,3|N<3>}	B[5](N[5]C[6a]B[5])2(B[5]N[5]2){2|B<3>,2|N<3>,6|C<3>}	B[5](N[5]C[6a]B[5])(B[5]N[5]N)(NCC){1|B<3>,3|C<3>}	109.6142	1.828	4	109.6142	3.341	4	109.6142	3.341	4	109.6142	3.341	4	109.6142	3.341	4	109.6142	3.341	4
542	2	466	0:SP3_SP2_SP3	N[5]	B[5]	C[6]	4:3:3:	3:4:3:	3:4:4:1:	C[6]-4:B[5]-3:C[5]-3:	N[5]-3:B[5]-4:N-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N)	B[5](N[5]C[5]C[6])(B[5]N[5]Cl2)(NCC)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N){2|Cl<1>,3|C<4>,4|H<1>}	B[5](N[5]C[5]C[6])(B[5]N[5]Cl2)(NCC){1|H<1>,1|N<3>,3|C<4>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,3|N<3>,4|H<1>}	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1
542	2	474	0:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:4:3:	3:4:1:1:	B[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](B[5]C[5]N[5])(C[5]C[5]HH)2	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5]2)	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	N[5](B[5]C[5]N[5])(C[5]C[5]HH)2{3|C<3>,6|H<1>}	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	124.9430	5.334	2	124.9430	28.456	2	124.9430	28.456	2	124.9430	28.456	2	124.9430	28.456	2	124.9430	28.456	2
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:3:4:	3:3:3:	3:3:1:1:	B[5]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,2|C<4>,5|C<3>}	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Cl<1>,4|H<1>,6|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2{4|C<3>}	111.8120	0.352	2	111.8120	0.124	2	111.8120	0.124	2	111.8120	0.124	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:3:4:	4:3:3:	3:4:1:1:	B[5]-3:C[6a]-3:C[5]-4:	B[3,3]-4:N[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5](B[3,3]B[3,3]H[3]2)(N[5]C[6a]C[5])2	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|H<1>,2|H<2>,3|C<3>}	B[5](B[3,3]B[3,3]H[3]2)(N[5]C[6a]C[5])2{1|B<3>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	110.6158	0.337	4	110.6158	0.114	4	110.6158	0.114	4	110.6158	0.114	4	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|B<4>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){1|B<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2{1|Br<1>,3|C<3>}	109.0200	0.000	1	109.0200	0.000	1	109.5590	0.581	2	109.5590	0.581	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|H<1>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){3|H<1>,4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2{1|Br<1>,3|C<3>}	110.0980	0.000	1	110.0980	0.000	1	109.5590	0.581	2	109.5590	0.581	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	109.2130	0.000	2	109.2130	0.000	2	109.2130	0.000	2	109.2130	0.000	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	B[5](N[5]C[6a]C[5])2(OC)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:3:	3:3:4:1:	B[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	112.4825	0.360	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:3:	3:3:4:1:	B[5]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.4825	0.360	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:B-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	B[5](N[5]C[6a]C[5])2(BBr2)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(BBr2){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	110.0190	0.000	1	110.0190	0.000	1	109.7093	0.075	3	109.9917	0.468	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:B-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	B[5](N[5]C[6a]C[5])2(BOO)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(BOO){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	109.5545	0.078	2	109.5545	0.006	2	109.7093	0.075	3	109.9917	0.468	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	B[5](N[5]C[6a]C[5])2(CC[6a]O)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(CC[6a]O){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{4|C<3>}	110.2035	0.864	4	110.2035	0.747	4	110.2035	0.747	4	109.9917	0.468	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:4:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	B[5](N[5]C[6a]C[5])2(CC[6a]HO)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(CC[6a]HO){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	109.9990	0.014	2	109.9990	0.000	2	109.9990	0.000	2	109.9990	0.000	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:4:	4:3:3:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Si-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si)	B[5](N[5]C[6a]C[5])2(SiC[6a]CC)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si){2|H<1>,6|C<3>}	B[5](N[5]C[6a]C[5])2(SiC[6a]CC){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	3:3:3:1:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,3|C<3>}	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	3:3:4:1:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	110.0270	0.000	1	110.0270	0.000	1	110.6290	0.725	2	110.6290	0.725	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	3:3:4:1:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	111.2310	0.000	1	111.2310	0.000	1	110.6290	0.725	2	110.6290	0.725	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	B[5]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH)	B[5](B[5]O[5]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>,2|O<2>}	B[5](B[5]O[5]2)(N[5]C[5]C)2{2|C<4>,4|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	109.8720	0.175	2	109.8720	0.031	2	110.5550	0.633	4	110.0760	0.936	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	B[5]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3)	B[5](B[5]O[5]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	B[5](B[5]O[5]2)(N[5]C[5]C)2{2|C<4>,4|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	111.2380	0.031	2	111.2380	0.001	2	110.5550	0.633	4	110.0760	0.936	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	B[5a]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3)	B[5](B[5a]O[5a]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	B[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	110.0760	0.936	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	108.4130	0.000	1	108.4130	0.000	1	109.1670	1.137	2	110.0760	0.936	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	109.9210	0.000	1	109.9210	0.000	1	109.1670	1.137	2	110.0760	0.936	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:3:	3:3:1:	3:4:1:1:	C[5]-4:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[5]-4:Cl-1:H-1:	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl)	B[5](N[5]C[6a]C[5])2(Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H)	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Cl){2|Cl<1>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H){1|Cl<1>,3|C<3>}	108.9810	0.175	2	108.9810	0.031	2	108.9810	0.031	2	108.9810	0.031	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:3:	3:3:3:	3:3:3:1:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	113.1390	0.124	3	113.1390	0.015	3	113.1390	0.015	3	112.9121	0.154	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:3:	3:3:3:	3:3:3:1:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	113.2650	0.000	1	113.2650	0.000	1	112.8803	0.197	3	112.9121	0.154	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:3:	3:3:3:	3:3:3:1:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	112.6880	0.414	2	112.6880	0.172	2	112.8803	0.197	3	112.9121	0.154	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:3:	3:3:3:	3:3:3:1:	C[5]-4:B[5]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.9121	0.154	7	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:3:	3:3:4:	4:3:3:1:	C[5]-4:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:Si-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si)	B[5](N[5]C[6a]C[5])2(SiC[6a]CC)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si){1|O<2>,2|H<1>,6|C<3>}	B[5](N[5]C[6a]C[5])2(SiC[6a]CC){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:4:	3:3:2:	3:3:3:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:4:	3:3:3:	3:3:3:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH){1|N<3>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	112.0115	2.466	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:4:	3:3:3:	3:3:3:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	112.0115	2.466	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:4:	3:3:3:	3:4:3:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	110.7077	0.279	3	110.7077	0.078	3	110.7077	0.078	3	110.7077	0.078	3	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP2_SP2_SP3	N[5]	B[5]	C[5]	4:3:4:	3:3:3:	4:3:1:1:	C[5]-4:B[5]-3:C-4:	N[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3)	B[5](N[5]C[5]C)2(CC[6]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3){1|C<4>,2|H<1>}	B[5](N[5]C[5]C)2(CC[6]H){4|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	110.8515	0.708	2	110.8515	0.501	2	110.8515	0.501	2	110.8515	0.501	2	110.7887	1.771	51	110.7887	1.771	51
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	106.7300	0.000	2	106.7300	0.000	2	106.7300	0.000	2	106.7300	0.000	2	108.3815	1.635	10	108.3815	1.635	10
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	B[5](N[5]C[6a]C[5])2(OC)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	108.3815	1.635	10	108.3815	1.635	10
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:B-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	B[5](N[5]C[6a]C[5])2(BBr2)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(BBr2){4|C<3>,4|H<1>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	108.3815	1.635	10	108.3815	1.635	10
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	3:3:4:1:	B[5]-3:C[5]-4:C-4:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3)	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3){4|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	108.3815	1.635	10	108.3815	1.635	10
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	107.9953	0.077	3	107.9953	0.006	3	108.3798	0.595	4	108.3798	0.595	4	108.3815	1.635	10	108.3815	1.635	10
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	109.5330	0.000	1	109.5330	0.000	1	108.3798	0.595	4	108.3798	0.595	4	108.3815	1.635	10	108.3815	1.635	10
542	2	474	5:SP3_SP2_SP3	N[5]	B[5]	C[5]	4:3:4:	3:3:3:	3:4:3:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	108.3815	1.635	10	108.3815	1.635	10
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:3:4:	4:3:3:	3:1:1:1:	B[5]-3:C[5]-3:C-4:	C[4,5]-4:C[6a]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3)	B[5](C[4,5]C[4,5]C[6a]C[4])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3){6|C<3>}	B[5](C[4,5]C[4,5]C[6a]C[4])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,7|C<3>}	C(N[5]B[5]C[5])(H)3	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	B[5]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3)	B[5](B[5]O[5]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	B[5](B[5]O[5]2)(N[5]C[5]C)2{2|C<4>,4|H<1>}	C(N[5]B[5]C[5])(H)3	130.5450	0.277	2	130.5450	0.077	2	130.5450	0.077	2	130.0018	0.425	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	B[5a]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3)	B[5](B[5a]O[5a]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	B[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	C(N[5]B[5]C[5])(H)3	129.3660	0.000	1	129.3660	0.000	1	129.3660	0.000	1	130.0018	0.425	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C(N[5]B[5]C[5])(H)3	129.5510	0.000	1	129.5510	0.000	1	129.5510	0.000	1	130.0018	0.425	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:4:4:1:	B[5]-3:C[5]-4:C-4:	B[5]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH)	B[5](B[5]O[5]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>,2|O<2>}	B[5](B[5]O[5]2)(N[5]C[5]C)2{2|C<4>,4|H<1>}	C(N[5]B[5]C[5])(CH3)2(H)	129.4220	0.714	2	129.4220	0.510	2	129.4220	0.510	2	129.4220	0.510	2	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C(N[5]B[5]C[5])(CH3)3	127.2290	3.808	2	127.2290	14.504	2	127.6550	7.797	3	129.0757	13.272	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C(N[5]B[5]C[5])(CH3)3	128.5070	0.000	1	128.5070	0.000	1	127.6550	7.797	3	129.0757	13.272	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C(N[5]B[5]C[5])(CH3)3	133.3380	0.000	1	133.3380	0.000	1	133.3380	0.000	1	129.0757	13.272	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	4:3:4:	3:3:2:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-2:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C(N[5]B[5]C[5])(CH3)3	127.4470	0.000	1	127.4470	0.000	1	127.4470	0.000	1	127.4470	0.000	1	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	4:3:4:	3:3:3:	3:1:1:1:	C[5]-4:B[5]-3:C-4:	N[5]-3:N[5]-3:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3)	B[5](N[5]C[5]C)2(CC[6]H)	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3){1|C<4>,2|H<1>}	B[5](N[5]C[5]C)2(CC[6]H){4|H<1>}	C(N[5]B[5]C[5])(H)3	130.6105	1.095	2	130.6105	1.200	2	130.6105	1.200	2	130.6105	1.200	2	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	4:3:4:	3:3:3:	3:3:1:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH){1|N<3>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,5|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	126.3250	0.000	1	126.3250	0.000	1	126.3250	0.000	1	126.3250	0.000	1	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	4:3:4:	3:3:3:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C(N[5]B[5]C[5])(CH3)3	127.5347	0.540	3	127.5347	0.292	3	127.5347	0.292	3	127.6140	0.220	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP2_SP2_SP3	N[5]	B[5]	C	4:3:4:	3:3:3:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]H)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C(N[5]B[5]C[5])(CH3)3	127.8520	0.000	1	127.8520	0.000	1	127.8520	0.000	1	127.6140	0.220	4	128.7867	4.249	19	128.7867	4.249	19
542	2	490	0:SP3_SP2_SP3	N[5]	B[5]	C	3:3:4:	3:3:3:	3:4:4:1:	B[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	B[5](C[6a]C[6a]2)(C[5]B[5]C)(N[5]N[5]C)	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]B[5]C)(N[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	C(N[5]B[5]N[5])(CH3)2(H)	124.6927	1.840	6	124.6927	3.385	6	124.6927	3.385	6	124.6927	3.385	6	126.1755	6.535	13	126.1755	6.535	13
542	2	490	0:SP3_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C(N[5]B[5]C[5])(H)3	129.2800	0.000	1	129.2800	0.000	1	129.2800	0.000	1	129.2800	0.000	1	126.1755	6.535	13	126.1755	6.535	13
542	2	490	0:SP3_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	B[5](C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	C(N[5]B[5]C[5])(CH3)3	129.3730	0.279	3	129.3730	0.078	3	129.3730	0.078	3	127.9225	8.468	4	126.1755	6.535	13	126.1755	6.535	13
542	2	490	0:SP3_SP2_SP3	N[5]	B[5]	C	3:4:4:	3:3:3:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3)	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3){4|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C(N[5]B[5]C[5])(CH3)3	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	127.9225	8.468	4	126.1755	6.535	13	126.1755	6.535	13
542	2	490	0:SP3_SP2_SP3	N[5]	B[5]	C	3:4:4:	4:3:3:	3:1:1:1:	B[5]-3:N[5]-4:C-4:	N[5,6]-4:C[6a]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]N[5,6]C[6a])(N[5]B[5,6]LiC)(CH3)	B[5](N[5,6]B[5,6]N[6]Li)(C[6a]C[6a]2)(N[5]N[5]C)	C(N[5]B[5]N[5])(H)3	N[5](B[5]N[5,6]C[6a])(N[5]B[5,6]LiC)(CH3){2|N<4>,3|C<3>}	B[5](N[5,6]B[5,6]N[6]Li)(C[6a]C[6a]2)(N[5]N[5]C){1|Li<5>,1|B<5>,1|N<4>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]B[5]N[5])(H)3	125.1680	0.000	1	125.1680	0.000	1	125.1680	0.000	1	125.1680	0.000	1	126.1755	6.535	13	126.1755	6.535	13
542	2	490	0:SP3_SP2_SP3	N[5]	B[5]	C	4:3:4:	3:3:3:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,4|C<3>,4|H<1>}	C(N[5]B[5]C[5])(CH3)3	125.9870	0.000	1	125.9870	0.000	1	125.9870	0.000	1	125.9870	0.000	1	126.1755	6.535	13	126.1755	6.535	13
542	2	542	5:SP2_SP2_SP2	N[5]	B[5]	N[5,6]	3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:B[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6,6]-4:B[6]-3:N[5]-3:	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H)	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){1|C<4>,1|H<1>,6|C<3>}	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H){1|B<3>,2|C<4>,6|C<3>}	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>}	115.3480	0.000	1	115.3480	0.000	1	115.1620	0.069	2	115.1620	0.069	2	115.1620	0.069	2	110.6570	18.001	5
542	2	542	5:SP2_SP2_SP2	N[5]	B[5]	N[5,6]	3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:B[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6,6]-4:B[6]-3:N[5]-3:	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H)	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){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H){1|B<3>,2|C<4>,6|C<3>}	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>}	114.9760	0.000	1	114.9760	0.000	1	115.1620	0.069	2	115.1620	0.069	2	115.1620	0.069	2	110.6570	18.001	5
542	2	542	5:SP2_SP2_SP2	N[5]	B[5]	N[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:B[5]-3:N[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H)	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl)	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){1|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl){1|C<4>,1|H<1>,4|C<3>}	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H){1|O<2>,3|C<3>}	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	107.6537	2.143	3	110.6570	18.001	5
542	2	542	5:SP2_SP2_SP2	N[5]	B[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	B[5]-3:N[5]-3:C[6a]-3:	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C)	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){1|C<4>,2|H<1>,7|C<3>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C){2|H<1>,6|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>}	108.0250	1.860	2	108.0250	3.458	2	108.0250	3.458	2	108.0250	3.458	2	107.6537	2.143	3	110.6570	18.001	5
542	2	542	5:SP3_SP2_SP3	N[5]	B[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	B[5]-3:N[5]-3:C[6a]-3:	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C)	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){1|C<4>,2|H<1>,7|C<3>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C){2|H<1>,6|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>}	108.3795	1.149	2	108.3795	1.320	2	108.3795	1.320	2	108.3795	1.320	2	107.7802	1.762	10	107.7802	1.762	10
542	2	542	5:SP3_SP2_SP3	N[5]	B[5]	N[5]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:B[5]-3:	N[5]-3:C[5]-4:N-3:	N[5]-3:C[6a]-3:B[5]-3:	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N)	B[5](N[5]C[6a]N[5])(C[5]B[5]CH)(NCC)	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){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	B[5](N[5]C[6a]N[5])(C[5]B[5]CH)(NCC){1|N<3>,3|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>}	106.7550	3.241	2	106.7550	10.507	2	106.7550	10.507	2	106.7550	10.507	2	107.7802	1.762	10	107.7802	1.762	10
542	2	542	5:SP3_SP2_SP3	N[5]	B[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	B[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	B[5]-3:N[5]-3:C-4:	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	B[5](C[6a]C[6a]2)(C[5]B[5]C)(N[5]N[5]C)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]B[5]C)(N[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	107.9222	0.467	6	107.9222	0.218	6	107.9222	0.218	6	107.9222	0.218	6	107.7802	1.762	10	107.7802	1.762	10
542	2	643	0:SP2_SP2_SP2	N[5]	B[5,5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:B[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2)	B[5,5](C[5,5]C[5,6a]C[5]Si)(N[5]C[5,6a]C[6a])(C[5]C[5]SiH)	C[6a](N[5]C[5,6a]B[5,5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2){2|Si<4>,4|H<1>,6|C<3>}	B[5,5](C[5,5]C[5,6a]C[5]Si)(N[5]C[5,6a]C[6a])(C[5]C[5]SiH){1|B<3>,5|C<3>}	C[6a](N[5]C[5,6a]B[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	128.4400	0.000	1	128.4400	0.000	1	128.4400	0.000	1	128.4400	0.000	1	128.4400	0.000	1	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	B[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,5|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	134.4740	0.278	4	134.4740	0.077	4	134.4740	0.077	4	134.4740	0.077	4	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:2:	4:3:3:	3:3:3:	B[5]-3:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,2|C<4>,6|C<3>}	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	132.2850	0.000	1	132.2850	0.000	1	132.2850	0.000	1	132.2850	0.000	1	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])2(Br)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){1|B<4>,2|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3250	0.000	1	122.3250	0.000	1	125.1255	15.686	2	125.1255	15.686	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H)	B[5](N[5]C[6a]C[5])2(Br)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){3|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	127.9260	0.000	1	127.9260	0.000	1	125.1255	15.686	2	125.1255	15.686	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C)	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	125.7940	58.277	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:B[5]-3:N[5]-3:	N[5]-3:N[5]-3:O-2:	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)	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl)	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>}	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl){1|C<4>,1|H<1>,4|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>}	131.1920	0.000	1	131.1920	0.000	1	131.1920	0.000	1	125.7940	58.277	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[6a]-3:B[5]-3:	N[5]-3:B[5]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N)	B[5](N[5]C[6a]B[5])(B[5]N[5]N)(NCC)	C[6a](C[6a]C[6a]H)2(N[5]B[5]2)	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N){2|H<1>,3|C<3>,3|N<3>}	B[5](N[5]C[6a]B[5])(B[5]N[5]N)(NCC){1|B<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]B[5]2){1|C<3>,2|B<3>,2|H<1>,2|N<3>}	127.5685	1.207	4	127.5685	1.458	4	127.5685	1.458	4	124.6382	16.500	14	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:B[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N)	B[5](N[5]C[6a]B[5])2(B[5]N[5]2)	C[6a](C[6a]C[6a]H)2(N[5]B[5]2)	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N){2|H<1>,3|C<3>,3|N<3>}	B[5](N[5]C[6a]B[5])2(B[5]N[5]2){2|B<3>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]B[5]2){1|C<3>,2|B<3>,2|H<1>,2|N<3>}	122.1017	3.666	4	122.1017	13.439	4	122.1017	13.439	4	124.6382	16.500	14	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl)	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl){2|C<4>,2|H<1>,5|C<3>}	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Cl<1>,4|H<1>,6|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.9160	0.643	2	126.9160	0.414	2	126.9160	0.414	2	124.6382	16.500	14	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-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)	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C)	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>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C){2|H<1>,6|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	125.5525	7.984	2	125.5525	63.743	2	125.5525	63.743	2	124.6382	16.500	14	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[5]-3:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC)	C[6a](N[5]Ge[5]B[5])(C[6a]C[6a]C)2	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC){1|B<4>,1|C<2>,2|N<3>,4|C<3>}	C[6a](N[5]Ge[5]B[5])(C[6a]C[6a]C)2{1|Ge<5>,1|C<2>,1|C<3>,2|H<1>,2|N<3>}	120.6585	1.360	2	120.6585	1.849	2	120.6585	1.849	2	124.6382	16.500	14	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:N-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C)	B[5](N[5]C[6a]C[5])(C[5]C[5]2C)(NC[6a])	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C){1|H<1>,3|C<3>,3|C<4>}	B[5](N[5]C[6a]C[5])(C[5]C[5]2C)(NC[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	124.2256	15.401	5	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,1|H<1>,2|C<3>,2|C<4>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<3>,1|H<1>,2|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.2310	0.000	1	124.6925	19.081	4	124.6925	19.081	4	124.2256	15.401	5	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<3>,2|C<3>,2|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6980	0.000	1	124.6925	19.081	4	124.6925	19.081	4	124.2256	15.401	5	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4205	0.436	2	124.6925	19.081	4	124.6925	19.081	4	124.2256	15.401	5	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	N[5]-3:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2)	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5]2)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	131.0240	0.000	1	131.0240	0.000	1	131.0240	0.000	1	130.7765	0.123	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	N[5]-3:C[5]-4:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N)	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NCC)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N){2|C<4>,3|H<1>,4|C<3>}	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NCC){4|C<3>}	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	130.5290	0.000	1	130.5290	0.000	1	130.5290	0.000	1	130.7765	0.123	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[4,5]-4:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2)	B[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|S<1>,2|H<1>,9|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|C<4>,2|H<1>}	126.8460	0.158	2	126.8460	0.025	2	126.8460	0.025	2	126.8460	0.025	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	6:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2)	B[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]C[5])(C[5]N[5]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,6|B<6>}	B[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]C[5])(C[5]N[5]2){3|C<4>,4|C<3>,4|H<1>,5|B<6>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|C<6>,2|H<1>}	124.5755	0.810	2	124.5755	0.656	2	124.5755	0.656	2	124.5755	0.656	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:4:	3:3:3:	3:3:3:	B[5]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,2|C<4>,5|C<3>}	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Cl<1>,4|H<1>,6|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,4|H<1>}	130.6590	0.679	2	130.6590	0.461	2	130.6590	0.461	2	130.6590	0.461	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:3:4:	4:3:3:	3:3:3:	B[5]-3:C[6a]-3:C[5]-4:	B[3,3]-4:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5](B[3,3]B[3,3]H[3]2)(N[5]C[6a]C[5])2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|H<1>,2|H<2>,3|C<3>}	B[5](B[3,3]B[3,3]H[3]2)(N[5]C[6a]C[5])2{1|B<3>,4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	129.7897	0.549	4	129.7897	0.302	4	129.7897	0.302	4	129.7897	0.302	4	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|B<4>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){1|B<4>,2|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	131.8190	0.000	1	130.5627	1.282	4	130.5627	1.282	4	130.5627	1.282	4	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|H<1>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){3|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	129.0660	0.000	1	130.5627	1.282	4	130.5627	1.282	4	130.5627	1.282	4	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	130.6830	0.000	2	130.5627	1.282	4	130.5627	1.282	4	130.5627	1.282	4	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	B[5](N[5]C[6a]C[5])2(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	128.3780	0.000	1	128.3780	0.000	1	128.3780	0.000	1	128.3780	0.000	1	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,3|H<1>,4|C<3>}	128.1570	0.000	1	128.1570	0.000	1	128.1570	0.000	1	130.3579	2.351	9	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	128.7710	0.000	1	128.7710	0.000	1	128.7710	0.000	1	130.3579	2.351	9	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:B-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	B[5](N[5]C[6a]C[5])2(BBr2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(BBr2){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	130.2520	0.000	1	130.2520	0.000	1	129.6697	0.351	3	130.3579	2.351	9	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:B-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	B[5](N[5]C[6a]C[5])2(BOO)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(BOO){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	129.3785	0.441	2	129.3785	0.194	2	129.6697	0.351	3	130.3579	2.351	9	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	B[5](N[5]C[6a]C[5])2(CC[6a]O)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(CC[6a]O){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	131.8210	0.502	4	131.8210	0.252	4	131.8210	0.252	4	130.3579	2.351	9	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Si-4:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si)	B[5](N[5]C[6a]C[5])2(SiC[6a]CC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si){2|H<1>,6|C<3>}	B[5](N[5]C[6a]C[5])2(SiC[6a]CC){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	128.8810	0.000	1	128.8810	0.000	1	128.8810	0.000	1	128.8810	0.000	1	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[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)(B[5]N[5]C)	B[5](N[5]C[6a]C[5])2(CC[6a]HO)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(CC[6a]HO){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	129.9695	3.470	2	129.9695	12.039	2	129.9695	12.039	2	129.9695	12.039	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl)	B[5](N[5]C[6a]C[5])2(Cl)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Cl){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	129.1250	0.300	2	129.1250	0.090	2	129.1250	0.090	2	129.1250	0.090	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	128.3853	0.891	3	128.3853	0.793	3	128.3853	0.793	3	127.6903	1.175	7	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	127.0790	1.189	3	127.0790	1.415	3	127.0790	1.415	3	127.6903	1.175	7	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2)	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	127.4390	0.000	1	127.4390	0.000	1	127.4390	0.000	1	127.6903	1.175	7	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	4:3:3:	3:3:4:	3:3:3:	C[5]-4:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:Si-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si)	B[5](N[5]C[6a]C[5])2(SiC[6a]CC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si){1|O<2>,2|H<1>,6|C<3>}	B[5](N[5]C[6a]C[5])2(SiC[6a]CC){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	131.5120	0.000	1	131.5120	0.000	1	131.5120	0.000	1	131.5120	0.000	1	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	4:3:3:	4:3:4:	3:3:3:	P[5]-4:B[5]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2)	B[5](C[5]C[5]C[6]C)(N[5]C[6a]P[5])(C[6]C[6]2H)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2){1|H<1>,5|C<4>,8|C<3>}	B[5](C[5]C[5]C[6]C)(N[5]C[6a]P[5])(C[6]C[6]2H){4|C<4>,5|C<3>,5|H<1>}	C[6a](N[5]B[5]P[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	127.8880	0.000	1	127.8880	0.000	1	127.8880	0.000	1	127.8880	0.000	1	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP2_SP2_SP2	N[5]	B[5]	C[6a]	5:3:3:	3:3:3:	3:3:3:	Ge[3,3,5]-5:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N)	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC)	C[6a](N[5]Ge[3,3,5]B[5])(C[6a]C[6a]C)2	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N){1|C<2>,1|N<3>,2|C<4>,5|C<3>}	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC){1|B<4>,1|C<2>,2|N<3>,4|C<3>}	C[6a](N[5]Ge[3,3,5]B[5])(C[6a]C[6a]C)2{1|Ge<3>,1|B<4>,1|C<3>,2|H<1>,4|N<3>}	118.6265	0.510	2	118.6265	0.260	2	118.6265	0.260	2	118.6265	0.260	2	127.7766	17.066	70	127.7859	16.828	71
542	2	643	0:SP3_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-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)	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C)	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>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]B[5]C){2|H<1>,6|C<3>}	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	126.7410	2.481	2	126.7410	6.153	2	126.7410	6.153	2	126.7410	6.153	2	127.5050	6.461	8	127.5050	6.461	8
542	2	643	0:SP3_SP2_SP2	N[5]	B[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:B[5]-3:	N[5]-3:C[5]-4:N-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)	B[5](N[5]C[6a]N[5])(C[5]B[5]CH)(NCC)	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>}	B[5](N[5]C[6a]N[5])(C[5]B[5]CH)(NCC){1|N<3>,3|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>}	126.0475	5.027	2	126.0475	25.269	2	126.0475	25.269	2	126.0475	25.269	2	127.5050	6.461	8	127.5050	6.461	8
542	2	643	0:SP3_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	B[5](N[5]C[6a]C[5])2(Br)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	129.3540	0.000	2	129.3540	0.000	2	129.3540	0.000	2	129.3540	0.000	2	127.5050	6.461	8	127.5050	6.461	8
542	2	643	0:SP3_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	B[5](N[5]C[6a]C[5])2(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	127.0800	0.000	1	127.0800	0.000	1	127.0800	0.000	1	127.0800	0.000	1	127.5050	6.461	8	127.5050	6.461	8
542	2	643	0:SP3_SP2_SP2	N[5]	B[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:N[5]-3:B-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	B[5](N[5]C[6a]C[5])2(BBr2)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(BBr2){4|C<3>,4|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	128.6750	0.000	1	128.6750	0.000	1	128.6750	0.000	1	128.6750	0.000	1	127.5050	6.461	8	127.5050	6.461	8
542	2	727	5:SP2_SP2_SP2	N[5]	B[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:B[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2)	B[5,5](C[5,5]C[5,6a]C[5]Si)(N[5]C[5,6a]C[6a])(C[5]C[5]SiH)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2){2|Si<4>,4|H<1>,6|C<3>}	B[5,5](C[5,5]C[5,6a]C[5]Si)(N[5]C[5,6a]C[6a])(C[5]C[5]SiH){1|B<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	109.5053	0.775	3
542	2	727	5:SP2_SP2_SP2	N[5]	B[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:B[5]-3:C[6a]-3:	N[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2)	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	109.9630	0.293	2	109.9630	0.293	2	109.5053	0.775	3
542	2	727	5:SP2_SP2_SP2	N[5]	B[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	N[5]-3:C[5]-4:N-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N)	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NCC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N){2|C<4>,3|H<1>,4|C<3>}	B[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NCC){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	109.9630	0.293	2	109.9630	0.293	2	109.5053	0.775	3
542	2	762	0:SP2_SP2_SP2	N[5,6]	B[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:B[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	131.3260	0.000	1	131.3260	0.000	1	131.3260	0.000	1	131.3260	0.000	1	131.3260	0.000	1	131.3260	0.000	1
542	2	818	5:SP2_SP2_SP2	N[5,6]	B[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:B[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-4:H-1:	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H)	B[5](N[5]C[6a]C[5])2(Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){3|H<1>,4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H){1|Br<1>,3|C<3>}	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-4:B-4:	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])2(Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3)	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B){2|C<4>,2|H<1>,3|C<3>}	B[5](N[5]C[6a]C[5])2(Br){1|B<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3){1|Br<1>,3|C<3>}	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:N[5]-3:C-4:	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C)	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl)	C[5](N[5]C[6a]B[5])(N[5]N[5]H)(CC3)	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	B[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(OAl){1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[6a]B[5])(N[5]N[5]H)(CC3){1|O<2>,3|C<3>}	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:3:3:	3:4:1:	B[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C[5]-4:Cl-1:	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl)	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl)	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl){2|C<4>,2|H<1>,5|C<3>}	B[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Cl<1>,4|H<1>,6|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl){4|C<3>}	109.2460	0.477	2	109.2460	0.227	2	109.2460	0.227	2	109.2460	0.227	2	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:B-3:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,1|H<1>,2|C<3>,2|C<4>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<3>,1|H<1>,2|C<3>}	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH){2|Si<4>,1|O<2>,2|C<3>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:4:2:	3:3:4:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:N-2:	N[5]-3:C[5]-3:C-4:	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C)	B[5](N[5]C[6a]C[5])(C[5]C[5]2C)(NC[6a])	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3)	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C){1|H<1>,3|C<3>,3|C<4>}	B[5](N[5]C[6a]C[5])(C[5]C[5]2C)(NC[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<2>,3|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:4:2:	3:4:3:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-4:B-3:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br){2|Si<4>,1|O<2>,2|C<3>}	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:4:2:	3:4:4:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-4:B-4:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B){2|Si<4>,1|O<2>,2|C<3>}	111.7730	0.000	1	111.7730	0.000	1	111.9805	0.086	2	111.9805	0.086	2	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	3:4:2:	3:4:4:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-4:B-4:	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3){2|Si<4>,1|O<2>,2|C<3>}	112.1880	0.000	1	112.1880	0.000	1	111.9805	0.086	2	111.9805	0.086	2	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	B[5]-3:C[5]-3:C[6a]-3:	C[4,5]-4:N[5]-3:C[6a]-3:	C[4,5]-4:N[5]-3:S-1:	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2)	B[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]B[5])(S)	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|S<1>,2|H<1>,9|C<3>}	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]B[5])(S){8|C<3>}	114.5880	0.174	2	114.5880	0.030	2	114.5880	0.030	2	114.5880	0.030	2	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:3:	6:3:3:	6:3:4:	B[5]-3:C[5]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:N[5]-3:C[5]-3:	C[5x3,6x5,20x6]-6:N[5]-3:C-4:	N[5](B[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2)	B[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]C[5])(C[5]N[5]2)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]B[5])(CC3)	N[5](B[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,6|B<6>}	B[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]C[5])(C[5]N[5]2){3|C<4>,4|C<3>,4|H<1>,5|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]B[5])(CC3){3|C<3>,4|H<1>,5|B<6>}	114.9460	0.330	2	114.9460	0.109	2	114.9460	0.109	2	114.9460	0.109	2	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP2_SP2_SP2	N[5]	B[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	B[5]-3:C[5]-3:C-4:	C[4,5]-4:C[6a]-3:N[5]-3:	C[4,5]-4:N[5]-3:S-1:	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3)	B[5](C[4,5]C[4,5]C[6a]C[4])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]B[5]C)(S)	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3){6|C<3>}	B[5](C[4,5]C[4,5]C[6a]C[4])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,7|C<3>}	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]B[5]C)(S){6|C<3>}	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	111.7355	6.254	15	111.5787	6.230	16
542	2	818	5:SP3_SP2_SP2	N[5]	B[5]	C[5]	4:3:3:	3:4:3:	3:3:3:	C[6]-4:B[5]-3:C[5]-3:	N[5]-3:B[5]-4:N-3:	N[5]-3:N[5]-3:N-3:	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N)	B[5](N[5]C[5]C[6])(B[5]N[5]Cl2)(NCC)	C[5](N[5]B[5]C[6])2(NCC)	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N){2|Cl<1>,3|C<4>,4|H<1>}	B[5](N[5]C[5]C[6])(B[5]N[5]Cl2)(NCC){1|H<1>,1|N<3>,3|C<4>}	C[5](N[5]B[5]C[6])2(NCC){2|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1
542	2	939	5:SP2_SP2_SP2	N[5]	B[5]	Ge[5]	3:3:3:	3:3:3:	5:3:2:	Ge[5]-3:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:N-3:	Ge[3,3,5]-5:N[5]-3:C-2:	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC)	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC){1|B<4>,1|C<2>,2|N<3>,4|C<3>}	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	125.3590	0.987	2	125.3590	0.974	2	125.3590	0.974	2	125.3590	0.974	2	125.3590	0.974	2	125.3590	0.974	2
542	2	951	0:SP2_SP-NON_SP2	N[5]	B[5]	H	3:3:1:	4:3:3:	3:	N[5,6]-3:B[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:	N[5]-3:	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H)	H(N[5]N[5,6]B[5])	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[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H){1|B<3>,2|C<4>,6|C<3>}	H(N[5]N[5,6]B[5])	122.5140	0.000	1	122.4190	0.018	2	122.4190	0.018	2	122.4190	0.018	2	122.4190	0.018	2	122.4190	0.018	2
542	2	951	0:SP2_SP-NON_SP2	N[5]	B[5]	H	3:3:1:	4:3:3:	3:	N[5,6]-3:B[5]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:	N[5]-3:	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	B[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H)	H(N[5]N[5,6]B[5])	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[5](C[5,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5,6]H){1|B<3>,2|C<4>,6|C<3>}	H(N[5]N[5,6]B[5])	122.3240	0.000	1	122.4190	0.018	2	122.4190	0.018	2	122.4190	0.018	2	122.4190	0.018	2	122.4190	0.018	2
542	2	955	5:SP2_SP2_SP3	N[5]	B[5]	P[5]	4:3:3:	4:3:4:	3:3:3:3:	P[5]-4:B[5]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6]-4:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2)	B[5](C[5]C[5]C[6]C)(N[5]C[6a]P[5])(C[6]C[6]2H)	P[5](N[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2){1|H<1>,5|C<4>,8|C<3>}	B[5](C[5]C[5]C[6]C)(N[5]C[6a]P[5])(C[6]C[6]2H){4|C<4>,5|C<3>,5|H<1>}	P[5](N[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]C[5]C){2|C<4>,4|H<1>,7|C<3>}	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1
542	2	960	5:SP2_SP2_SP2	N[5]	B[5]	N[5]	3:3:2:	3:3:4:	3:3:	B[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:	C[5]-3:N[5]-3:	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	B[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){2|H<1>,5|C<3>}	112.6497	0.215	4	112.6497	0.046	4	112.6497	0.046	4	112.6497	0.046	4	112.7408	0.076	5	112.7408	0.076	5
542	2	960	5:SP2_SP2_SP2	N[5]	B[5]	N[5]	3:3:2:	4:3:3:	3:3:	B[5]-3:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,2|C<4>,6|C<3>}	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	112.7408	0.076	5	112.7408	0.076	5
542	2	982	5:SP2_SP2_SPD5	N[5]	B[5]	Ge[3,3,5]	5:3:3:	3:3:3:	3:3:3:4:3:	Ge[3,3,5]-5:C[6a]-3:B[5]-3:	N[5]-3:N[5]-3:N-3:	N[3]-3:N[3]-3:N[5]-3:B[3,3]-4:Ge[5]-3:	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N)	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC)	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C)	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N){1|C<2>,1|N<3>,2|C<4>,5|C<3>}	B[5](N[5]Ge[3,3,5]C[6a])(N[5]C[6a]Ge[5])(NCC){1|B<4>,1|C<2>,2|N<3>,4|C<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]B[5])(B[3,3]N[3]2N)(Ge[5]N[5]C){1|N<3>,7|C<3>}	115.5165	0.035	2	115.5165	0.001	2	115.5165	0.001	2	115.5165	0.001	2	115.5165	0.001	2	115.5165	0.001	2
542	3	562	0:SP2_SP2_SP3	N[5]	B[5a]	Si[5,5]	4:3:2:	3:3:3:	3:3:3:3:	Si[5,5]-4:B[5a]-3:N[5]-2:	N[5]-3:N[5a]-3:N[5a]-3:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Si[5,5]N[5]3)(B[5a]N[5a]2)(N[5]N[5])	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2	Si[5,5](N[5]B[5a]N[5])2(N[5]C[5]C)2	N[5](Si[5,5]N[5]3)(B[5a]N[5a]2)(N[5]N[5]){1|B<3>,2|C<4>,6|C<3>}	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|N<3>,4|C<3>}	Si[5,5](N[5]B[5a]N[5])2(N[5]C[5]C)2{2|H<1>,4|N<3>}	138.7940	0.187	2	138.7940	0.035	2	138.7940	0.035	2	138.7940	0.035	2	138.7940	0.035	2	138.7940	0.035	2
542	3	960	0:SP2_SP2_SP2	N[5]	B[5a]	N[5]	4:3:2:	3:3:3:	3:2:	Si[5,5]-4:B[5a]-3:N[5]-2:	N[5]-3:N[5a]-3:N[5a]-3:	N[5]-3:N[5]-2:	N[5](Si[5,5]N[5]3)(B[5a]N[5a]2)(N[5]N[5])	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2	N[5](N[5]Si[5,5]B[5a])(N[5]N[5])	N[5](Si[5,5]N[5]3)(B[5a]N[5a]2)(N[5]N[5]){1|B<3>,2|C<4>,6|C<3>}	B[5a](N[5]Si[5,5]N[5])(N[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|N<3>,4|C<3>}	N[5](N[5]Si[5,5]B[5a])(N[5]N[5]){1|B<3>,4|N<3>}	109.6855	0.346	2	109.6855	0.120	2	109.6855	0.120	2	109.6855	0.120	2	109.6855	0.120	2	109.6855	0.120	2
542	18	474	0:SP2_SP3_SPD6	N[5]	B[5x3,4,9x5,6,6]	C[5]	6:4:3:	6:6:6:6:5:3:	3:3:3:1:	B[5x3,4,9x5,6,6]-6:C[5]-4:C[5]-3:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C)	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]2)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C){1|B<5>,1|C<4>,2|C<3>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	122.7820	0.335	4	122.7820	0.112	4	122.7820	0.112	4	122.7820	0.112	4	122.7820	0.112	4	122.4652	0.309	6
542	18	474	0:SP2_SP3_SPD6	N[5]	B[5x3,5x5,20x6]	C[5]	6:4:3:	6:6:6:6:6:3:	3:4:1:1:	B[5x3,5x5,20x6]-6:C[5]-4:C[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O){1|C<6>,4|B<6>,9|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2){1|B<6>,1|O<1>,2|C<4>,7|H<1>}	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2{1|C<6>,1|O<1>,2|H<1>,4|B<6>}	121.8315	0.045	2	121.8315	0.002	2	121.8315	0.002	2	121.8315	0.002	2	121.8315	0.002	2	122.4652	0.309	6
542	18	762	0:SP2_SP2_SPD6	N[5,6]	B[4x3,4x5,12x6]	C[6]	6:3:3:	6:6:6:5:2:3:	3:3:1:	B[4x3,4x5,12x6]-6:C[5,6]-3:C[6]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,4x5,12x6]-5:H[3]-2:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H)	B[4x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[5])(H[3]B[4x3,3x5,12x6])(N[5,6]C[5,6]C[6])	C[6](N[5,6]B[4x3,4x5,12x6]C[5,6])(C[6]C[6]H)(H)	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,7|H<1>}	B[4x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[5])(H[3]B[4x3,3x5,12x6])(N[5,6]C[5,6]C[6]){1|B<6>,2|C<3>,9|H<1>}	C[6](N[5,6]B[4x3,4x5,12x6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|H<2>,3|B<6>}	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.6855	0.107	2
542	18	762	0:SP2_SP2_SPD6	N[5,6]	B[5x3,6x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,6x5,20x6]-6:C[5,6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5,6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H)	B[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5,6]C[5,6]C[6])	C[6](N[5,6]B[5x3,6x5,20x6]C[5,6])(C[6]C[6]H)(H)	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,5|B<6>,8|H<1>}	B[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5,6]C[5,6]C[6]){1|B<6>,2|C<3>,8|H<1>}	C[6](N[5,6]B[5x3,6x5,20x6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	125.6855	0.107	2
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,4,9x5,6,6]	C[5]	6:3:2:	6:6:6:6:5:3:	3:2:4:	B[5x3,4,9x5,6,6]-6:C[5]-3:N[5]-2:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:N[5]-2:C-4:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5])	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5])	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5]){1|B<5>,1|C<4>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3){1|B<5>,1|C<4>,4|B<6>}	130.6390	0.000	1	130.6390	0.000	1	130.6390	0.000	1	130.6390	0.000	1	129.4925	0.455	6	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,4,9x5,6,6]	C[5]	6:3:2:	6:6:6:6:5:3:	3:3:4:	B[5x3,4,9x5,6,6]-6:C[5]-3:N[5]-2:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5])	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5])	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5]){1|B<5>,1|C<4>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3){1|B<5>,4|B<6>}	129.6170	0.000	1	129.6170	0.000	1	129.6170	0.000	1	129.6170	0.000	1	129.4925	0.455	6	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,4,9x5,6,6]	C[5]	6:4:3:	6:6:6:6:5:3:	3:2:4:	B[5x3,4,9x5,6,6]-6:C[5]-4:C[5]-3:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:O[5]-2:C-4:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C)	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]2)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C){1|B<5>,1|C<4>,2|C<3>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	129.0010	0.000	1	129.0010	0.000	1	129.1748	0.181	4	129.1748	0.181	4	129.4925	0.455	6	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,4,9x5,6,6]	C[5]	6:4:3:	6:6:6:6:5:3:	3:2:4:	B[5x3,4,9x5,6,6]-6:C[5]-4:C[5]-3:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:O[5]-2:C-4:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C)	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]2)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]C[6a]N[5]H)(C[5]O[5]C){1|B<5>,1|C<4>,2|C<3>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	129.2327	0.501	3	129.2327	0.251	3	129.1748	0.181	4	129.1748	0.181	4	129.4925	0.455	6	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,5x5,20x6]	C[5]	6:3:3:	6:6:5:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[5]-3:C[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:C[5,6a]-3:O-1:	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5]C[5,6a]O)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5]2)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5]C[5,6a]O)2{2|C<3>,4|H<1>,5|B<6>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5]2){1|B<6>,2|C<3>,2|O<1>,5|H<1>}	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|B<5>,1|H<1>,1|O<1>,2|B<6>,2|C<3>,2|C<6>}	124.8425	0.576	2	124.8425	0.332	2	124.8425	0.332	2	124.8425	0.332	2	125.0119	0.137	10	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,5x5,20x6]	C[5]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[5]-3:C[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:C[5,6a]-3:O-1:	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5,6a]O)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5,6a]O)2{2|C<3>,2|C<6>,3|B<6>,5|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2){1|B<6>,2|C<3>,2|O<1>,5|H<1>}	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|B<6>}	124.9458	0.109	4	124.9458	0.012	4	124.9458	0.012	4	124.9198	0.068	6	125.0119	0.137	10	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,5x5,20x6]	C[5]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[5]-3:C[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:C[5,6a]-3:O-1:	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]O)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]O)2{1|C<6>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2){1|B<6>,2|C<3>,2|O<1>,5|H<1>}	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<6>,1|H<1>,1|O<1>,2|C<3>,4|B<6>}	124.8680	0.543	2	124.8680	0.295	2	124.8680	0.295	2	124.9198	0.068	6	125.0119	0.137	10	126.6921	5.253	16
542	18	818	0:SP2_SP2_SPD6	N[5]	B[5x3,5x5,20x6]	C[5]	6:4:3:	6:6:6:6:6:3:	3:4:1:	B[5x3,5x5,20x6]-6:C[5]-4:C[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O){1|C<6>,4|B<6>,9|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(N[5]C[5]2){1|B<6>,1|O<1>,2|C<4>,7|H<1>}	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(O){1|C<6>,4|B<6>,4|H<1>}	125.4575	0.240	2	125.4575	0.057	2	125.4575	0.057	2	125.4575	0.057	2	125.0119	0.137	10	126.6921	5.253	16
542	18	818	5:SP2_SP2_SPD6	N[5,6]	B[4x3,4x5,12x6]	C[5,6]	6:3:3:	6:6:6:5:2:3:	3:4:3:	B[4x3,4x5,12x6]-6:C[5,6]-3:C[6]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,4x5,12x6]-5:H[3]-2:N[5,6]-3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H)	B[4x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[5])(H[3]B[4x3,3x5,12x6])(N[5,6]C[5,6]C[6])	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H)	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,7|H<1>}	B[4x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[5])(H[3]B[4x3,3x5,12x6])(N[5,6]C[5,6]C[6]){1|B<6>,2|C<3>,9|H<1>}	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H){1|B<5>,1|C<3>,1|H<2>,2|H<1>,4|B<6>}	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	112.9025	0.518	6
542	18	818	5:SP2_SP2_SPD6	N[5,6]	B[5x3,6x5,20x6]	C[5,6]	6:3:3:	6:6:6:6:6:3:	3:4:3:	B[5x3,6x5,20x6]-6:C[5,6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5,6]-3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H)	B[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5,6]C[5,6]C[6])	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H)	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,5|B<6>,8|H<1>}	B[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5,6]C[5,6]C[6]){1|B<6>,2|C<3>,8|H<1>}	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,6|B<6>}	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	112.9025	0.518	6
542	18	818	5:SP2_SP2_SPD6	N[5]	B[5x3,4x5,11x6]	C[5]	6:3:1:	6:5:6:6:6:3:	3:2:3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[3x3,4x5,12x6]-5:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:O[5]-2:C[6a]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]O[5])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]HH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]O[5])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]HH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){1|C<5>,2|C<3>,2|H<1>,4|B<6>}	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	113.2627	0.319	4	112.9025	0.518	6
542	18	818	5:SP2_SP2_SPD6	N[5]	B[5x3,4x5,11x6]	C[5]	6:3:1:	6:6:5:6:6:3:	3:2:3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:O[5]-2:C[6a]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	113.2890	0.000	1	113.4220	0.035	2	113.5293	0.052	3	113.5293	0.052	3	113.2627	0.319	4	112.9025	0.518	6
542	18	818	5:SP2_SP2_SPD6	N[5]	B[5x3,4x5,11x6]	C[5]	6:3:1:	6:6:5:6:6:3:	3:2:3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:O[5]-2:C[6a]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<5>,4|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	113.5550	0.000	1	113.4220	0.035	2	113.5293	0.052	3	113.5293	0.052	3	113.2627	0.319	4	112.9025	0.518	6
542	18	818	5:SP2_SP2_SPD6	N[5]	B[5x3,4x5,11x6]	C[5]	6:3:1:	6:6:5:6:6:3:	3:2:3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:O[5]-2:C[6a]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	113.7440	0.000	1	113.7440	0.000	1	113.5293	0.052	3	113.5293	0.052	3	113.2627	0.319	4	112.9025	0.518	6
542	18	951	0:SP2_SP-NON_SPD6	N[5]	B[5x3,4x5,11x6]	H	6:3:1:	6:5:6:6:6:3:	3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[3x3,4x5,12x6]-5:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]O[5])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]HH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	H(N[5]B[5x3,4x5,11x6]C[5])	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]O[5])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]HH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	H(N[5]B[5x3,4x5,11x6]C[5])	128.8150	0.000	1	128.8150	0.000	1	128.8150	0.000	1	128.8150	0.000	1	124.6003	7.901	4	124.6003	7.901	4
542	18	951	0:SP2_SP-NON_SPD6	N[5]	B[5x3,4x5,11x6]	H	6:3:1:	6:6:5:6:6:3:	3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	H(N[5]B[5x3,4x5,11x6]C[5])	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	H(N[5]B[5x3,4x5,11x6]C[5])	123.2940	0.000	1	123.2345	0.007	2	123.1953	0.008	3	123.1953	0.008	3	124.6003	7.901	4	124.6003	7.901	4
542	18	951	0:SP2_SP-NON_SPD6	N[5]	B[5x3,4x5,11x6]	H	6:3:1:	6:6:5:6:6:3:	3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	H(N[5]B[5x3,4x5,11x6]C[5])	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<5>,4|H<1>}	H(N[5]B[5x3,4x5,11x6]C[5])	123.1750	0.000	1	123.2345	0.007	2	123.1953	0.008	3	123.1953	0.008	3	124.6003	7.901	4	124.6003	7.901	4
542	18	951	0:SP2_SP-NON_SPD6	N[5]	B[5x3,4x5,11x6]	H	6:3:1:	6:6:5:6:6:3:	3:	B[5x3,4x5,11x6]-6:C[5]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:N[5]-3:	N[5]-3:	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H)	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H)	H(N[5]B[5x3,4x5,11x6]C[5])	N[5](B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[5]C[6a]O[5])(H){1|B<5>,1|C<5>,2|B<6>,2|C<3>,5|H<1>}	B[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,13x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]O[5]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(N[5]C[5]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	H(N[5]B[5x3,4x5,11x6]C[5])	123.1170	0.000	1	123.1170	0.000	1	123.1953	0.008	3	123.1953	0.008	3	124.6003	7.901	4	124.6003	7.901	4
542	18	960	0:SP2_SP2_SPD6	N[5]	B[5x3,4,9x5,6,6]	N[5]	6:3:2:	6:6:6:6:5:3:	3:2:	B[5x3,4,9x5,6,6]-6:C[5]-3:N[5]-2:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:N[5]-2:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5])	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5])	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5])	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5]){1|B<5>,1|C<4>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]){1|B<5>,2|C<4>,4|B<6>}	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	120.9440	1.089	2	120.9440	1.089	2
542	18	960	0:SP2_SP2_SPD6	N[5]	B[5x3,4,9x5,6,6]	N[5]	6:3:2:	6:6:6:6:5:3:	3:3:	B[5x3,4,9x5,6,6]-6:C[5]-3:N[5]-2:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:N[5]-3:	N[5]-3:N[5]-3:	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5])	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5])	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5]){1|B<5>,1|C<4>,3|B<6>,5|H<1>}	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)4(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	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>}	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.9440	1.089	2	120.9440	1.089	2
542	30	818	0:SP2_SP2_SPD5	N[5]	B	C[5]	3:3:5:	3:3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:B-5:	N[5]-3:N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2HH)	B(N[5]C[5]N[5])3(H)2	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2HH){1|C<4>,1|H<1>}	B(N[5]C[5]N[5])3(H)2	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	129.7907	0.456	3	129.7907	0.208	3	129.7907	0.208	3	129.7907	0.208	3	129.7907	0.208	3	129.7907	0.208	3
542	58	474	5:SP2_SP3_SP3	N[5]	S[5]	C[5]	4:3:1:	3:3:1:	3:3:4:1:	C[5]-4:S[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	117.3255	13.020	2	117.3255	13.020	2
542	58	474	5:SP2_SP3_SP3	N[5]	S[5]	C[5]	4:3:3:	3:2:1:	3:3:3:4:	C[5]-4:C[6a]-3:S[5]-3:	N[5]-3:N[5]-2:O-1:	N[5]-3:C[6a]-3:C[5]-3:C-4:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O)	S[5](N[5]C[6a]C[5])(N[5]C[5])(O)	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	S[5](N[5]C[6a]C[5])(N[5]C[5])(O){1|C<4>,1|O<2>,3|C<3>}	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|O<1>,2|H<1>,4|C<3>}	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	117.3255	13.020	2	117.3255	13.020	2
542	58	474	5:SP3_SP3_SP3	N[5]	S[5]	C[5]	4:3:4:	3:2:1:	4:3:4:1:	C[5]-4:S[5]-3:C-4:	N[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH)	S[5](N[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH){1|C<3>,1|H<1>}	S[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1
542	58	490	0:SP3_SP3_SP3	N[5]	S[5]	C	4:3:4:	3:2:1:	3:4:4:1:	C[5]-4:S[5]-3:C-4:	N[5]-3:O[5]-2:O-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH)	S[5](N[5]C[5]C)(O[5]C[5])(O)	C(N[5]C[5]S[5])(CH3)2(H)	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH){1|C<3>,1|H<1>}	S[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]S[5])(CH3)2(H)	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1
542	58	643	0:SP2_SP2_SP3	N[5]	S[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	S[5,5]-3:C[5]-3:C[6a]-3:	N[5,5,6]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	S[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]C)2	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	S[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2{2|H<1>,6|C<3>}	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	117.8336	0.814	5	117.8336	0.814	5	118.2015	1.464	6
542	58	643	0:SP2_SP2_SP3	N[5]	S[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	S[5,5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5,5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se)	S[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2)	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]H)2	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	S[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2){2|Se<1>,2|C<4>,4|C<3>}	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]H)2{1|Se<1>,2|C<3>,2|H<1>,2|N<3>}	118.0373	0.900	4	118.0373	0.810	4	118.0373	0.810	4	117.8336	0.814	5	117.8336	0.814	5	118.2015	1.464	6
542	58	643	0:SP2_SP2_SP3	N[5]	S[5]	C[6a]	4:3:3:	3:2:1:	3:3:3:	C[5]-4:C[6a]-3:S[5]-3:	N[5]-3:N[5]-2:O-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O)	S[5](N[5]C[6a]C[5])(N[5]C[5])(O)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	S[5](N[5]C[6a]C[5])(N[5]C[5])(O){1|C<4>,1|O<2>,3|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	118.2015	1.464	6
542	58	727	5:SP2_SP2_SP3	N[5]	S[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:S[5]-3:C-3:	N[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O)	S[5](N[5]C[5,6a]C)2(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O){1|H<1>,3|C<3>}	S[5](N[5]C[5,6a]C)2(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	112.3725	0.173	2	112.3725	0.030	2	112.3725	0.030	2	112.3725	0.030	2	112.3725	0.030	2	112.3725	0.030	2
542	58	818	5:SP2_SP2_SP3	N[5,5,6]	S[5,5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:S[5,5]-3:	N[5,5,6]-3:N[5]-3:N[5]-3:	N[5,5,6]-3:C[5]-3:C[6]-3:	N[5,5,6](C[5,6]C[5]C[6])2(S[5,5]N[5]2)	S[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6])2(S[5,5]N[5]2){3|C<3>,4|H<1>}	S[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2{2|H<1>,6|C<3>}	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	116.8183	1.734	8
542	58	818	5:SP2_SP2_SP3	N[5]	S[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	S[5,5]-3:C[5]-3:C[6a]-3:	N[5,5,6]-3:N[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:H-1:	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	S[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H)	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	S[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2{2|H<1>,6|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	115.7800	0.000	1	115.7800	0.000	1	115.7800	0.000	1	115.9198	0.015	5	115.9198	0.015	5	116.8183	1.734	8
542	58	818	5:SP2_SP2_SP3	N[5]	S[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	S[5,5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5,5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se)	S[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2)	C[5](N[5]S[5,5]C[6a])(N[5]C[5,5]C)(Se)	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	S[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2){2|Se<1>,2|C<4>,4|C<3>}	C[5](N[5]S[5,5]C[6a])(N[5]C[5,5]C)(Se){2|C<3>,2|N<3>}	115.9548	0.109	4	115.9548	0.012	4	115.9548	0.012	4	115.9198	0.015	5	115.9198	0.015	5	116.8183	1.734	8
542	58	818	5:SP2_SP2_SP3	N[5]	S[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:S[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O)	S[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]S[5]C)(O)	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	117.8530	0.177	2	117.8530	0.031	2	117.8530	0.031	2	117.8530	0.031	2	117.8530	0.031	2	116.8183	1.734	8
542	58	818	5:SP3_SP2_SP3	N[5]	S[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:S[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O)	S[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]S[5]C)(O)	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1
542	58	930	0:SP2_SP2_SP3	N[5]	S[5]	C	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:S[5]-3:C-3:	N[5]-3:N[5]-3:O-1:	C[6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O)	S[5](N[5]C[5,6a]C)2(O)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O){1|H<1>,3|C<3>}	S[5](N[5]C[5,6a]C)2(O){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	124.0530	1.942	2	124.0530	3.770	2	124.0530	3.770	2	118.6875	39.808	4	118.6875	39.808	4	118.6875	39.808	4
542	58	930	0:SP2_SP2_SP3	N[5]	S[5]	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:S[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5]-3:N[6]-3:O-1:	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C(N[5]C[5]S[5])(N[6]C[6]2)(O)	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5]S[5])(N[6]C[6]2)(O)	113.3220	0.707	2	113.3220	0.500	2	113.3220	0.500	2	118.6875	39.808	4	118.6875	39.808	4	118.6875	39.808	4
542	58	930	0:SP3_SP2_SP3	N[5]	S[5]	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:S[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5]-3:N[6]-3:O-1:	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C(N[5]C[5]S[5])(N[6]C[6]2)(O)	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5]S[5])(N[6]C[6]2)(O)	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1
542	58	951	0:SP2_SP-NON_SP3	N[5]	S[5]	H	4:3:1:	3:3:1:	3:	C[5]-4:S[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5]-3:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	H(N[5]C[5]S[5])	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5]S[5])	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1
542	82	474	5:SP2_SP3_SPD5	N[5,6]	Ga[5,6,6]	C[5,6]	5:4:3:	3:3:2:2:1:	3:4:4:1:	Ga[5,6,6]-5:C[5,6]-4:C[6]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:Cl-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	Ga[5,6,6](N[5,6]C[5,6]C[6])2(O[6]C[6,6a])2(Cl)	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	Ga[5,6,6](N[5,6]C[5,6]C[6])2(O[6]C[6,6a])2(Cl){2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	112.8430	3.179	2	112.8430	10.107	2	112.8430	10.107	2	112.8430	10.107	2	112.8430	10.107	2	113.3353	4.594	8
542	82	474	5:SP2_SP3_SPD5	N[5,6]	Ga[5,6,6]	C[5]	5:3:4:	3:3:2:2:2:	3:4:1:1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(OC)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(OC){4|C<3>,6|H<1>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>,3|O<2>}	112.5960	3.103	2	112.5960	9.627	2	112.5960	9.627	2	113.5080	6.602	4	113.4993	4.281	6	113.3353	4.594	8
542	82	474	5:SP2_SP3_SPD5	N[5,6]	Ga[5,6,6]	C[5]	5:3:4:	3:3:2:2:2:	3:4:1:1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:P-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(PC)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(PC){4|C<3>,6|H<1>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|P<2>,2|C<3>,2|O<2>}	114.4200	2.618	2	114.4200	6.852	2	114.4200	6.852	2	113.5080	6.602	4	113.4993	4.281	6	113.3353	4.594	8
542	82	474	5:SP2_SP3_SPD5	N[5,6]	Ga[5,6,6]	C[5]	5:4:3:	3:3:2:2:4:	3:4:1:1:	Ga[5,6,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(CH3)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(CH3){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	113.4820	1.264	2	113.4820	1.598	2	113.4820	1.598	2	113.4820	1.598	2	113.4993	4.281	6	113.3353	4.594	8
542	82	643	0:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[6a]	3:5:3:	3:3:2:2:2:	3:3:3:	C[5,6a]-3:Ga[5,5]-5:C[6a]-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:N-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2)	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC)	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC){8|C<3>}	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	126.6255	1.296	4	126.6255	1.679	4	126.6255	1.679	4	126.6255	1.679	4	126.7451	0.861	8	126.7451	0.861	8
542	82	643	0:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[6a]	5:3:3:	3:3:3:3:1:	3:3:3:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl){4|H<1>,8|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,2|C<3>,3|H<1>,3|N<3>}	126.3110	0.000	1	126.3110	0.000	1	126.3110	0.000	1	126.3110	0.000	1	126.7451	0.861	8	126.7451	0.861	8
542	82	643	0:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:S-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC){4|H<1>,8|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|S<2>,2|C<3>,3|H<1>,3|N<3>}	126.9680	0.653	2	126.9680	0.427	2	126.9680	0.427	2	126.9680	0.427	2	126.7451	0.861	8	126.7451	0.861	8
542	82	643	0:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[6a]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:O-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH){4|H<1>,8|C<3>}	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|O<3>,2|C<3>,3|H<1>,3|N<3>}	127.2120	0.000	1	127.2120	0.000	1	127.2120	0.000	1	127.2120	0.000	1	126.7451	0.861	8	126.7451	0.861	8
542	82	727	0:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	C[5,6a]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:N[5,5]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2{2|N<3>,6|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	137.3152	0.583	4	137.3152	0.340	4	138.3142	2.599	6	138.3142	2.599	6	138.3142	2.599	6	138.3142	2.599	6
542	82	727	0:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	C[5,6a]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:N[5,5]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5])	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]){1|H<1>,6|C<3>}	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2{2|O<2>,6|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	140.3120	0.041	2	140.3120	0.002	2	138.3142	2.599	6	138.3142	2.599	6	138.3142	2.599	6	138.3142	2.599	6
542	82	727	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6,6a]	3:5:3:	3:3:2:2:1:	3:3:3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:Cl-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(Cl)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C){1|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(Cl){2|C<4>,6|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	108.7890	4.795	10	110.0633	7.698	14
542	82	727	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6,6a]	3:5:3:	3:3:2:2:2:	3:3:3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:O-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C){1|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a]){2|C<4>,6|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	107.8732	0.328	6	107.8732	0.107	6	107.8732	0.107	6	107.8732	0.107	6	108.7890	4.795	10	110.0633	7.698	14
542	82	727	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6,6a]	3:5:3:	3:3:3:2:2:	3:3:3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O-2:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H){1|H<1>,7|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a]){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	112.8765	0.583	2	112.8765	0.340	2	112.8765	0.340	2	110.9520	11.281	3	108.7890	4.795	10	110.0633	7.698	14
542	82	727	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6,6a]	3:5:3:	3:3:3:2:2:	3:3:3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C)	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C){1|H<1>,7|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a]){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	110.9520	11.281	3	108.7890	4.795	10	110.0633	7.698	14
542	82	727	5:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[5,6a]	3:5:3:	3:3:2:2:2:	3:3:3:	C[5,6a]-3:Ga[5,5]-5:C[6a]-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:N-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2)	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC){8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	113.2490	0.166	4	113.2490	0.028	4	113.2490	0.028	4	113.2490	0.028	4	113.2490	0.028	4	110.0633	7.698	14
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[3x5]	C[6]	5:3:3:	3:3:3:2:2:	3:3:1:	Ga[3x5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2	C[6](N[5,6]Ga[3x5]C[5,6])(C[6]N[6]H)(H)	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|N<2>}	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](N[5,6]Ga[3x5]C[5,6])(C[6]N[6]H)(H){2|C<3>,2|N<3>,2|S<2>}	128.6570	0.000	1	128.6570	0.000	1	128.6570	0.000	1	128.6570	0.000	1	128.6570	0.000	1	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	3:5:3:	3:3:2:2:1:	3:3:4:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:Cl-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(Cl)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C){1|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(Cl){2|C<4>,6|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	132.0330	0.000	1	132.0330	0.000	1	132.0330	0.000	1	132.0330	0.000	1	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	3:5:3:	3:3:2:2:2:	3:3:4:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:O-2:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C){1|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a]){2|C<4>,6|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	131.8937	0.647	6	131.8937	0.419	6	131.8937	0.419	6	131.8937	0.419	6	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	3:5:3:	3:3:3:2:2:	3:3:1:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H){1|H<1>,7|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	128.3235	0.070	2	128.3235	0.005	2	128.3235	0.005	2	128.3235	0.005	2	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	3:5:3:	3:3:3:2:2:	3:3:4:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O-2:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C)	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a])	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C){1|H<1>,7|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	133.4240	0.000	1	133.4240	0.000	1	133.4240	0.000	1	133.4240	0.000	1	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:2:1:1:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	125.3140	0.000	1	125.8110	0.494	2	125.8110	0.494	2	125.8110	0.494	2	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:2:1:1:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|H<1>,1|N<3>,3|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	126.3080	0.000	1	125.8110	0.494	2	125.8110	0.494	2	125.8110	0.494	2	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:3:1:1:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(Cl)2	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(Cl)2{2|H<1>,6|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	124.2625	0.945	2	124.2625	0.894	2	124.2625	0.894	2	124.7970	0.445	6	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:3:1:1:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:F-1:F-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(F)2	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(F)2{2|H<1>,6|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	125.2665	0.381	2	125.2665	0.145	2	125.2665	0.145	2	124.7970	0.445	6	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:3:1:1:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:I-1:I-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(I)2	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(I)2{2|H<1>,6|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|I<1>,2|N<3>}	124.8620	0.409	2	124.8620	0.167	2	124.8620	0.167	2	124.7970	0.445	6	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:3:3:1:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:Cl-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl){4|H<1>,8|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	129.7260	0.000	1	129.7260	0.000	1	129.7260	0.000	1	129.7260	0.000	1	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:3:3:2:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:S-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC){4|H<1>,8|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>,3|N<3>}	129.7730	0.182	2	129.7730	0.033	2	129.7730	0.033	2	129.7730	0.033	2	128.7740	10.119	22	128.7690	9.660	23
542	82	762	0:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[6]	5:3:3:	3:3:3:3:3:	3:3:1:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:O-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH){4|H<1>,8|C<3>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|O<3>,2|C<3>,3|N<3>}	129.8870	0.000	1	129.8870	0.000	1	129.8870	0.000	1	129.8870	0.000	1	128.7740	10.119	22	128.7690	9.660	23
542	82	762	6:SP2_SP2_SPD5	N[5,6]	Ga[5,6,6]	C[6]	5:3:4:	3:3:2:2:2:	3:3:1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(OC){4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<2>}	126.5365	0.542	2	126.5365	0.294	2	126.5365	0.294	2	125.5308	1.500	4	125.2789	1.052	8	125.2789	1.052	8
542	82	762	6:SP2_SP2_SPD5	N[5,6]	Ga[5,6,6]	C[6]	5:3:4:	3:3:2:2:2:	3:3:1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:P-2:	C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(PC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(PC){4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|O<2>,3|H<1>}	124.5250	0.400	2	124.5250	0.160	2	124.5250	0.160	2	125.5308	1.500	4	125.2789	1.052	8	125.2789	1.052	8
542	82	762	6:SP2_SP2_SPD5	N[5,6]	Ga[5,6,6]	C[6]	5:4:3:	3:3:2:2:1:	3:3:1:	Ga[5,6,6]-5:C[5,6]-4:C[6]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:Cl-1:	N[5,6]-3:C[6,6a]-3:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	Ga[5,6,6](N[5,6]C[5,6]C[6])2(O[6]C[6,6a])2(Cl)	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	Ga[5,6,6](N[5,6]C[5,6]C[6])2(O[6]C[6,6a])2(Cl){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	124.8955	1.416	2	124.8955	2.006	2	124.8955	2.006	2	124.8955	2.006	2	125.2789	1.052	8	125.2789	1.052	8
542	82	762	6:SP2_SP2_SPD5	N[5,6]	Ga[5,6,6]	C[6]	5:4:3:	3:3:2:2:4:	3:3:4:	Ga[5,6,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(CH3)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	125.1585	0.532	2	125.1585	0.284	2	125.1585	0.284	2	125.1585	0.284	2	125.2789	1.052	8	125.2789	1.052	8
542	82	818	5:SP2_SP2_SPD5	N[5,5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,5]-3:N[5,5]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2{2|H<1>,2|N<3>,3|C<3>}	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2{2|N<3>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.0820	0.308	4	119.0820	0.095	4	119.3272	0.207	6	119.3742	0.322	12	119.3742	0.322	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,5]-3:N[5,5]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2{2|H<1>,2|O<2>,3|C<3>}	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2{2|O<2>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	119.8175	0.166	2	119.8175	0.028	2	119.3272	0.207	6	119.3742	0.322	12	119.3742	0.322	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	N[5,5,6](Ga[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(Cl)2{2|H<1>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.8590	1.273	2	119.8590	1.620	2	119.8590	1.620	2	119.3742	0.322	12	119.3742	0.322	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:F-1:F-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	N[5,5,6](Ga[5,5]N[5,6]2FF)(C[5,6]C[5,6]C[6])2	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(F)2	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2FF)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(F)2{2|H<1>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	119.0680	0.300	2	119.0680	0.090	2	119.0680	0.090	2	119.3742	0.322	12	119.3742	0.322	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:I-1:I-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	N[5,5,6](Ga[5,5]N[5,6]2II)(C[5,6]C[5,6]C[6])2	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(I)2	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2II)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(I)2{2|H<1>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	119.3365	0.357	2	119.3365	0.128	2	119.3365	0.128	2	119.3742	0.322	12	119.3742	0.322	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5]	Ga[3x5]	C[5]	5:3:2:	3:3:2:2:1:	3:3:4:	Ga[3x5]-5:C[5]-3:N[5]-2:	N[5,5]-3:N[5,5]-3:S[5]-2:S[5]-2:Cl-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5])	Ga[3x5](N[5,5]C[5]N[5])2(S[5]C[5])2(Cl)	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3)	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	Ga[3x5](N[5,5]C[5]N[5])2(S[5]C[5])2(Cl){2|C<4>,2|N<3>}	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3){1|Cl<1>,1|C<3>,1|N<2>,2|S<2>}	117.0245	0.022	2	117.0245	0.000	2	117.0245	0.000	2	117.0245	0.000	2	117.8660	2.125	3	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5]	Ga[3x5]	C[5]	5:3:2:	3:3:3:2:2:	3:3:4:	Ga[3x5]-5:C[5]-3:N[5]-2:	N[5,6]-3:N[5,5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5,5]-3:C[5,6]-3:C-4:	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5])	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,4|C<3>}	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	117.8660	2.125	3	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	C[5,5]	5:3:3:	3:3:3:1:1:	3:3:2:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:N[5,5]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5]-3:C[5,6]-3:O[5]-2:	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5])	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a])	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]){1|H<1>,6|C<3>}	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2{2|O<2>,6|C<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	113.7915	0.508	2	113.7915	0.258	2	113.7915	0.258	2	113.7915	0.258	2	115.2823	1.518	6	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	C[5,5]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5]-3:N[5,5]-3:N[5,5,6]-3:Cl-1:Cl-1:	N[5,5]-3:C[5,6]-3:N[5]-3:	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	Ga[5,5](N[5,5]C[5,6a]C[5,5])2(N[5,5,6]C[5,6]2)(Cl)2{2|N<3>,6|C<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	116.0277	0.471	4	116.0277	0.222	4	116.0277	0.222	4	116.0277	0.222	4	115.2823	1.518	6	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	C[5]	5:3:2:	3:3:2:1:1:	3:3:3:	Ga[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,5]-3:C[5,6]-3:C[6a]-3:	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5])	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<3>,4|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	118.9265	0.291	2	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	C[5]	5:3:2:	3:3:2:1:1:	3:3:4:	Ga[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,5]-3:C[5,6]-3:C-4:	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5])	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.9265	0.291	2	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[3x5]	C[5,6]	5:3:3:	3:3:3:2:2:	3:3:3:	Ga[3x5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H)	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|N<2>}	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|S<2>}	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:2:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	115.0360	0.000	1	115.0360	0.000	1	114.9245	0.025	2	114.9245	0.025	2	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:2:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	114.8130	0.000	1	114.8130	0.000	1	114.9245	0.025	2	114.9245	0.025	2	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:Cl-1:Cl-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(Cl)2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(Cl)2{2|H<1>,6|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.1090	0.304	2	116.1090	0.092	2	116.1090	0.092	2	115.7822	0.432	6	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:F-1:F-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(F)2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(F)2{2|H<1>,6|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	115.4495	0.528	2	115.4495	0.279	2	115.4495	0.279	2	115.7822	0.432	6	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:1:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:I-1:I-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(I)2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(I)2{2|H<1>,6|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	115.7880	1.164	2	115.7880	1.355	2	115.7880	1.355	2	115.7822	0.432	6	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:3:1:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:Cl-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl){4|H<1>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:S-2:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC){4|H<1>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	111.6340	0.204	2	111.6340	0.041	2	111.6340	0.041	2	111.6340	0.041	2	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5,6]	Ga[5,5]	C[5,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:O-3:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH){4|H<1>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|O<3>,2|C<3>,2|H<1>,2|N<3>}	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	114.2911	3.863	12	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[5]	5:3:3:	3:3:3:3:1:	3:3:1:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:Cl-1:	C[5,6]-3:N[5]-3:H-1:	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(Cl){4|H<1>,8|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|Cl<1>,1|H<1>,2|N<3>,4|C<3>}	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	115.0697	0.375	4	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[5]	5:3:3:	3:3:3:3:2:	3:3:1:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:S-2:	C[5,6]-3:N[5]-3:H-1:	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(SC){4|H<1>,8|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|S<2>,2|N<3>,4|C<3>}	115.4775	0.633	2	115.4775	0.401	2	115.4775	0.401	2	115.4775	0.401	2	115.0697	0.375	4	116.5045	6.803	40
542	82	818	5:SP2_SP2_SPD5	N[5]	Ga[5,5]	C[5]	5:3:3:	3:3:3:3:3:	3:3:1:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:O-3:	C[5,6]-3:N[5]-3:H-1:	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH){4|H<1>,8|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|O<3>,2|N<3>,4|C<3>}	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	115.0697	0.375	4	116.5045	6.803	40
542	82	930	0:SP2_SP2_SPD5	N[5]	Ga[3x5]	C	5:2:3:	3:3:3:2:2:	3:3:4:	Ga[3x5]-5:N[5]-2:C-3:	N[5,6]-3:N[5,5]-3:N[5]-3:S[5]-2:S[5]-2:	C[6a]-3:N[5]-3:C-4:	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C)	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,4|C<3>}	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1
542	82	960	5:SP2_SP2_SPD5	N[5,5]	Ga[3x5]	N[5]	5:3:2:	3:3:2:2:1:	3:3:	Ga[3x5]-5:C[5]-3:N[5]-2:	N[5,5]-3:N[5,5]-3:S[5]-2:S[5]-2:Cl-1:	N[5,5]-3:C[5]-3:	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5])	Ga[3x5](N[5,5]C[5]N[5])2(S[5]C[5])2(Cl)	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N)	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	Ga[3x5](N[5,5]C[5]N[5])2(S[5]C[5])2(Cl){2|C<4>,2|N<3>}	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	121.9625	0.204	2	121.9625	0.042	2	121.9625	0.042	2	121.9625	0.042	2	121.9533	0.021	3	121.5813	0.664	6
542	82	960	5:SP2_SP2_SPD5	N[5,5]	Ga[3x5]	N[5]	5:3:2:	3:3:3:2:2:	3:3:	Ga[3x5]-5:C[5]-3:N[5]-2:	N[5,6]-3:N[5,5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5,5]-3:C[5]-3:	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5])	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N)	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,4|C<3>}	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](N[5,5]Ga[3x5]C[5])(C[5]S[5]N){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	121.9533	0.021	3	121.5813	0.664	6
542	82	960	5:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	N[5]	5:3:2:	3:3:2:1:1:	3:3:	Ga[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,5]-3:C[5]-3:	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5])	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	122.4840	0.000	1	122.4840	0.000	1	121.4935	1.962	2	121.4935	1.962	2	121.4935	1.962	2	121.5813	0.664	6
542	82	960	5:SP2_SP2_SPD5	N[5,5]	Ga[5,5]	N[5]	5:3:2:	3:3:2:1:1:	3:3:	Ga[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:N[5,5]-3:S[5]-2:Cl-1:Cl-1:	N[5,5]-3:C[5]-3:	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5])	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<3>,4|C<3>}	Ga[5,5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(S[5]C[5])(Cl)2{1|H<1>,1|N<3>,3|C<3>}	N[5](N[5,5]Ga[5,5]C[5])(C[5]S[5]N){2|Cl<1>,1|N<3>,2|C<3>}	120.5030	0.000	1	120.5030	0.000	1	121.4935	1.962	2	121.4935	1.962	2	121.4935	1.962	2	121.5813	0.664	6
542	82	960	5:SP2_SP2_SPD5	N[5]	Ga[3x5]	N[5]	5:2:3:	3:3:3:2:2:	3:3:	Ga[3x5]-5:N[5]-2:C-3:	N[5,6]-3:N[5,5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5]-3:C[5]-3:	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C)	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2	N[5](N[5]Ga[3x5]C)(C[5]S[5]N)	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,4|C<3>}	Ga[3x5](N[5,6]C[5,6]C[6])(N[5,5]C[5]N[5])(N[5]N[5]C)(S[5]C[5])2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](N[5]Ga[3x5]C)(C[5]S[5]N){1|S<2>,2|N<3>}	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	121.5813	0.664	6
542	98	466	0:SP2_SP3_SP3	N[5,6]	As[5]	C[6]	3:3:4:	3:3:1:	3:4:1:1:	C[5,5,6]-3:As[5]-3:C[6]-4:	N[5,6]-3:N[5,6]-3:Cl-1:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH)	As[5](N[5,6]C[5,5,6]C[6])2(Cl)	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH){1|N<3>,1|P<3>,2|C<4>,2|H<1>}	As[5](N[5,6]C[5,5,6]C[6])2(Cl){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	130.1175	0.950	2	130.1175	0.902	2	130.1175	0.902	2	130.1175	0.902	2	130.1175	0.902	2	130.1175	0.902	2
542	98	490	0:SP2_SP3_SP3	N[5]	As[5]	C	4:3:4:	4:3:1:	3:4:4:4:	Si[5]-4:As[5]-3:C-4:	C[5,5]-4:N[5]-3:Cl-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3)	As[5](C[5,5]C[5,5]C[5]C)(N[5]Si[5]C)(Cl)	C(N[5]As[5]Si[5])(CH3)3	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	As[5](C[5,5]C[5,5]C[5]C)(N[5]Si[5]C)(Cl){2|C<3>,3|C<4>}	C(N[5]As[5]Si[5])(CH3)3	116.1740	0.000	2	116.1740	0.000	2	116.1740	0.000	2	116.1740	0.000	2	116.1740	0.000	2	116.1740	0.000	2
542	98	562	5:SP2_SP3_SP3	N[5]	As[5]	Si[5]	4:3:4:	4:3:1:	3:3:4:4:	Si[5]-4:As[5]-3:C-4:	C[5,5]-4:N[5]-3:Cl-1:	C[5,5]-3:N[5]-3:C-4:C-4:	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3)	As[5](C[5,5]C[5,5]C[5]C)(N[5]Si[5]C)(Cl)	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	As[5](C[5,5]C[5,5]C[5]C)(N[5]Si[5]C)(Cl){2|C<3>,3|C<4>}	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2{1|Cl<1>,2|C<3>,2|C<4>}	115.6970	0.000	2	115.6970	0.000	2	115.6970	0.000	2	115.6970	0.000	2	115.6970	0.000	2	115.6970	0.000	2
542	98	643	0:SP2_SP2_SP3	N[5]	As[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:As[5]-3:C[6a]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2)	As[5](N[5]C[5,6a]C[6a])2(Cl)	C[6a](N[5]C[5,6a]As[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2){2|H<1>,6|C<3>}	As[5](N[5]C[5,6a]C[6a])2(Cl){6|C<3>}	C[6a](N[5]C[5,6a]As[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	119.3310	0.438	2	119.3310	0.192	2	119.3310	0.192	2	119.3310	0.192	2	119.3310	0.192	2	119.3310	0.192	2
542	98	727	5:SP2_SP2_SP3	N[5]	As[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:As[5]-3:C[6a]-3:	N[5]-3:N[5]-3:Cl-1:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2)	As[5](N[5]C[5,6a]C[6a])2(Cl)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2){2|H<1>,6|C<3>}	As[5](N[5]C[5,6a]C[6a])2(Cl){6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	113.3335	0.244	2	113.3335	0.060	2	113.3335	0.060	2	113.3335	0.060	2	113.3335	0.060	2	113.3335	0.060	2
542	98	818	5:SP2_SP2_SP3	N[5,6]	As[5]	C[5,5,6]	3:3:4:	3:3:1:	3:3:3:	C[5,5,6]-3:As[5]-3:C[6]-4:	N[5,6]-3:N[5,6]-3:Cl-1:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH)	As[5](N[5,6]C[5,5,6]C[6])2(Cl)	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH){1|N<3>,1|P<3>,2|C<4>,2|H<1>}	As[5](N[5,6]C[5,5,6]C[6])2(Cl){2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	111.4435	0.821	2	111.4435	0.674	2	111.4435	0.674	2	111.4435	0.674	2	111.4435	0.674	2	111.4435	0.674	2
542	130	727	0:SP2_SP2_SPD5	N[5]	Ge	C[5,6a]	3:5:3:	3:3:3:1:1:	3:3:3:	C[5,6a]-3:Ge-5:C[5]-3:	N[5]-3:N[5]-3:N[5]-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	Ge(N[5]C[5,6a]C[5])3(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<2>,1|H<1>,2|C<3>}	Ge(N[5]C[5,6a]C[5])3(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	136.4740	0.000	1	137.1823	0.399	3	137.1823	0.399	3	137.1823	0.399	3	137.1823	0.399	3	137.1823	0.399	3
542	130	727	0:SP2_SP2_SPD5	N[5]	Ge	C[5,6a]	3:5:3:	3:3:3:1:1:	3:3:3:	C[5,6a]-3:Ge-5:C[5]-3:	N[5]-3:N[5]-3:N[5]-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	Ge(N[5]C[5,6a]C[5])3(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	Ge(N[5]C[5,6a]C[5])3(F)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	137.5365	0.213	2	137.1823	0.399	3	137.1823	0.399	3	137.1823	0.399	3	137.1823	0.399	3	137.1823	0.399	3
542	130	818	0:SP2_SP2_SPD5	N[5]	Ge	C[5]	3:5:3:	3:3:3:1:1:	3:3:4:	C[5,6a]-3:Ge-5:C[5]-3:	N[5]-3:N[5]-3:N[5]-3:F-1:F-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	Ge(N[5]C[5,6a]C[5])3(F)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<2>,1|H<1>,2|C<3>}	Ge(N[5]C[5,6a]C[5])3(F)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	116.4560	0.000	1	115.3603	1.138	3	115.3603	1.138	3	115.3603	1.138	3	115.3603	1.138	3	115.3603	1.138	3
542	130	818	0:SP2_SP2_SPD5	N[5]	Ge	C[5]	3:5:3:	3:3:3:1:1:	3:3:4:	C[5,6a]-3:Ge-5:C[5]-3:	N[5]-3:N[5]-3:N[5]-3:F-1:F-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	Ge(N[5]C[5,6a]C[5])3(F)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	Ge(N[5]C[5,6a]C[5])3(F)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	114.8125	0.689	2	115.3603	1.138	3	115.3603	1.138	3	115.3603	1.138	3	115.3603	1.138	3	115.3603	1.138	3
542	138	818	0:SP2_SP2_SP3	N[5]	N[3]	C[5]	3:3:3:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:N[3]-3:	C[3]-4:C[3]-4:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(N[3]C[3]2)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](C[5]C[5,6a]O)2(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.1870	5.829	2	123.1870	33.982	2	122.6088	13.180	4	122.3700	10.500	6	122.4744	4.836	12	122.4744	4.836	12
542	138	818	0:SP2_SP2_SP3	N[5]	N[3]	C[5]	3:3:3:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:N[3]-3:	C[3]-4:C[3]-4:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(N[3]C[3]2)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](C[5]C[5,6a]O)2(N[3]C[3]2){2|H<1>,4|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.0305	2.054	2	122.0305	4.220	2	122.6088	13.180	4	122.3700	10.500	6	122.4744	4.836	12	122.4744	4.836	12
542	138	818	0:SP2_SP2_SP3	N[5]	N[3]	C[5]	3:3:3:	4:4:3:	3:3:1:	N[3]-3:C[5]-3:C[5]-3:	C[3,3]-4:C[3]-4:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](N[3]C[3,3]C[3])(C[5]C[5,6a]O)2	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](N[3]C[3,3]C[3])(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.8925	3.504	2	121.8925	12.276	2	121.8925	12.276	2	122.3700	10.500	6	122.4744	4.836	12	122.4744	4.836	12
542	138	818	0:SP2_SP2_SP3	N[5]	N[3]	C[5]	3:3:3:	4:4:3:	3:4:1:	C[5]-3:C[5]-3:N[3]-3:	C[3]-4:C[3]-4:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5]C[5]O)2(N[3]C[3]2)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	C[5](N[5]C[5]N[3])(C[5]C[5]HH)(O)	N[5](C[5]C[5]O)2(N[3]C[3]2){2|C<4>,6|H<1>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<4>,2|O<1>}	C[5](N[5]C[5]N[3])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	122.5788	0.338	6	122.5788	0.114	6	122.5788	0.114	6	122.5788	0.114	6	122.4744	4.836	12	122.4744	4.836	12
542	138	818	0:SP3_SP2_SP3	N[5]	N[3]	C[5]	3:3:3:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:N[3]-3:	C[3]-4:C[3]-4:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](C[5]C[5,6a]O)2(N[3]C[3]2){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.0805	3.507	2	122.0805	12.296	2	122.0805	12.296	2	122.0805	12.296	2	122.0805	12.296	2	122.0805	12.296	2
542	198	643	0:SP2_SP2_SPD5	N[5]	Ga[3,3,5]	C[6a]	5:3:3:	5:3:3:3:3:	3:3:3:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	C[6a](N[5]Ga[3,3,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	C[6a](N[5]Ga[3,3,5]C[5])(C[6a]C[6a]C)2{1|Ga<5>,2|C<3>,3|H<1>,3|N<3>}	134.8965	1.637	4	134.8965	2.679	4	134.8965	2.679	4	134.8965	2.679	4	134.8965	2.679	4	134.8965	2.679	4
542	198	818	5:SP2_SP2_SPD5	N[5]	Ga[3,3,5]	C[5]	5:3:3:	5:3:3:3:3:	3:3:1:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	C[5](N[5]Ga[3,3,5]C[6a])(C[5]N[5]H)(H)	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	C[5](N[5]Ga[3,3,5]C[6a])(C[5]N[5]H)(H){1|Ga<5>,2|N<3>,3|C<3>}	108.0828	0.486	4	108.0828	0.237	4	108.0828	0.237	4	108.0828	0.237	4	108.0828	0.237	4	108.0828	0.237	4
542	206	334	0:SP2_SP1_SP1	N[5,6]	C[6]	C[5]	3:2:2:	3:2:	3:2:	C[5,6]-3:C[5]-2:C[6]-2:	N[5,6]-3:C[6]-2:	N[5,6]-3:C[5]-2:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5])	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6]){1|C<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){1|N<2>,2|C<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]){1|C<2>,1|N<2>}	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1
542	206	818	0:SP2_SP1_SP2	N[5,6]	C[6]	C[5]	3:3:2:	3:2:	3:2:3:	C[5,6]-3:C[5]-3:C[6]-2:	N[5,6]-3:C[6]-2:	N[5,6]-3:C[5]-2:C-3:	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5])(CNO)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){2|C<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5])(CNO){1|C<3>,2|C<2>}	130.5010	0.000	1	130.5010	0.000	1	130.5010	0.000	1	130.5010	0.000	1	130.5010	0.000	1	130.5010	0.000	1
542	206	818	6:SP2_SP1_SP2	N[5,6]	C[6]	C[5,6]	3:2:2:	3:2:	3:2:2:	C[5,6]-3:C[5]-2:C[6]-2:	N[5,6]-3:C[6]-2:	N[5,6]-3:C[5]-2:N[6]-2:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5])(N[6]C[6])	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6]){1|C<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){1|N<2>,2|C<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5])(N[6]C[6]){1|C<2>}	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	122.8708	2.857	4	122.8708	2.857	4
542	206	818	6:SP2_SP1_SP2	N[5,6]	C[6]	C[5,6]	3:2:2:	3:2:	3:3:2:	C[5,6]-3:C[6]-2:N[5]-2:	N[5,6]-3:C[6]-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6]N[5]N[6])(C[6]C[6])(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	N[5,6](C[5,6]N[5]N[6])(C[6]C[6])(N[5]C[5]){1|Co<6>,1|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,1|N<2>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){1|C<2>,1|O<1>}	122.9750	0.136	2	122.9750	0.018	2	122.9750	0.018	2	122.9750	0.018	2	122.8708	2.857	4	122.8708	2.857	4
542	206	818	6:SP2_SP1_SP2	N[5,6]	C[6]	C[5,6]	3:3:2:	3:2:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-2:	N[5,6]-3:C[6]-2:	N[5,6]-3:C[5]-3:C[6]-2:	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6])	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){2|C<2>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	122.8708	2.857	4	122.8708	2.857	4
542	206	960	0:SP2_SP1_SP2	N[5,6]	C[6]	N[5]	3:2:2:	3:2:	3:2:	C[5,6]-3:C[6]-2:N[5]-2:	N[5,6]-3:C[6]-2:	N[5,6]-3:C[5]-2:	N[5,6](C[5,6]N[5]N[6])(C[6]C[6])(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])	N[5](N[5,6]C[5,6]C[6])(C[5]N[5])	N[5,6](C[5,6]N[5]N[6])(C[6]C[6])(N[5]C[5]){1|Co<6>,1|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,1|N<2>,1|N<3>,1|O<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]){1|Co<6>,1|C<2>,1|N<2>}	127.7020	0.750	2	127.7020	0.562	2	127.7020	0.562	2	127.7020	0.562	2	127.7020	0.562	2	127.7020	0.562	2
542	218	542	6:SP2_SP2_SPD6	N[5,6,6]	Ge[3x6]	N[5,6,6]	6:3:3:	3:3:3:2:2:2:	3:4:3:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:N-2:N-2:N-2:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)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)	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>}	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3{1|B<4>,3|C<4>,6|C<3>}	N[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>}	119.5120	0.425	3	119.5120	0.181	3	119.5120	0.181	3	119.5120	0.181	3	119.5120	0.181	3	119.5120	0.181	3
542	218	818	0:SP2_SP2_SPD6	N[5,6,6]	Ge[3x6]	C[5]	6:3:3:	3:3:3:2:2:2:	3:3:4:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:N-2:N-2:N-2:	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)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3	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>}	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3{1|B<4>,3|C<4>,6|C<3>}	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>}	132.7697	0.189	3	132.7697	0.036	3	132.7697	0.036	3	132.7697	0.036	3	132.7697	0.036	3	132.7697	0.036	3
542	222	474	5:SP3_SP3_SPD5	N[5]	As[5,5]	C[5]	5:4:1:	3:3:3:2:2:	4:3:4:1:	As[5,5]-5:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	113.6815	1.312	2	113.6815	1.721	2	113.6815	1.721	2	113.6815	1.721	2	113.6815	1.721	2	113.6815	1.721	2
542	222	951	0:SP3_SP-NON_SPD5	N[5]	As[5,5]	H	5:4:1:	3:3:3:2:2:	3:	As[5,5]-5:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	N[5]-3:	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	H(N[5]As[5,5]C[5])	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	H(N[5]As[5,5]C[5])	116.9855	1.955	2	116.9855	3.823	2	116.9855	3.823	2	116.9855	3.823	2	116.9855	3.823	2	116.9855	3.823	2
542	246	466	0:SP2_SP3_SP3	N[5,6]	P[5]	C[6]	3:3:4:	3:3:3:	3:4:1:1:	C[5,5,6]-3:P[5]-3:C[6]-4:	N[5,6]-3:N[5,6]-3:N-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH)	P[5](N[5,6]C[5,5,6]C[6])2(NCC)	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH){1|As<3>,1|N<3>,2|C<4>,2|H<1>}	P[5](N[5,6]C[5,5,6]C[6])2(NCC){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	126.9805	1.109	2	126.9805	1.231	2	126.9805	1.231	2	125.7613	2.476	4	125.7613	2.476	4	125.7613	2.476	4
542	246	466	0:SP2_SP3_SP3	N[5,6]	P[5]	C[6]	3:3:4:	3:3:3:	3:4:1:1:	C[5,6]-3:P[5]-3:C[6]-4:	N[5,6]-3:N[5,6]-3:N-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH)	P[5](N[5,6]C[5,6]C[6])2(NCC)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH){1|Sb<5>,1|N<3>,2|C<4>,2|H<1>}	P[5](N[5,6]C[5,6]C[6])2(NCC){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	124.5420	0.502	2	124.5420	0.252	2	124.5420	0.252	2	125.7613	2.476	4	125.7613	2.476	4	125.7613	2.476	4
542	246	474	0:SP3_SP3_SP3	N[5,5]	P[5,5]	C[5,5,6]	4:4:3:	4:4:3:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:P[5,5]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(N[5,5]C[5,5,6]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(N[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	125.0230	9.143	2	125.0230	83.592	2	125.0230	83.592	2	125.0230	83.592	2	125.0230	83.592	2	125.0230	83.592	2
542	246	474	5:SP2_SP3_SP3	N[5]	P[5,5]	C[5]	3:3:4:	4:3:3:	3:4:1:1:	P[5,5]-3:C[6a]-3:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|P<3>,3|H<1>,6|C<3>}	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){4|H<1>,8|C<3>}	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|P<4>,3|C<3>}	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5,6]	4:3:4:	3:3:3:	4:4:3:1:	C[5,6]-4:P[5]-3:S-4:	N[5]-3:N[5]-3:N-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO)	P[5](N[5]C[5,6]S)2(NCC)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO){1|S<4>,2|C<4>,3|H<1>}	P[5](N[5]C[5,6]S)2(NCC){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){1|P<3>,3|C<3>,3|H<1>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	112.0410	0.000	1	114.6040	2.605	5	114.6040	2.605	5	114.6040	2.605	5	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	115.1857	1.041	3	114.6040	2.605	5	114.6040	2.605	5	114.6040	2.605	5	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	115.4220	0.000	1	114.6040	2.605	5	114.6040	2.605	5	114.6040	2.605	5	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:N-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N)	P[5](N[5]C[6a]C[5])2(NN)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(NN){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	115.1545	1.435	2	115.1545	2.058	2	115.1545	2.058	2	115.1881	0.827	8	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	114.1615	0.528	2	114.8648	0.792	4	114.8648	0.792	4	115.1881	0.827	8	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){3|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	115.5680	0.344	2	114.8648	0.792	4	114.8648	0.792	4	115.1881	0.827	8	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:S-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S)	P[5](N[5]C[6a]C[5])2(SC)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(SC){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	115.8685	0.077	2	115.8685	0.006	2	115.8685	0.006	2	115.1881	0.827	8	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:3:	3:3:1:1:	P[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,5|C<3>}	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	P[5](N[5]C[6a]C[5])2(CNO)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(CNO){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	113.7585	2.036	2	113.7585	4.144	2	114.0387	1.489	4	114.0387	1.489	4	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	P[5](N[5]C[6a]C[5])2(CSS)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(CSS){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	114.3190	0.091	2	114.3190	0.008	2	114.0387	1.489	4	114.0387	1.489	4	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	3:4:4:	5:3:3:	4:3:1:1:	P[5]-3:C[5]-4:C-4:	C[3x3,4,3x5,14x6]-5:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2{1|C<5>,5|B<6>,8|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	4:3:3:	3:3:1:	3:3:1:1:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:Cl-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|Cl<1>,1|H<1>,4|C<3>}	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	4:3:3:	3:3:2:	3:3:1:1:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-2:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|C<2>,1|H<1>,4|C<3>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	118.2750	0.391	2	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP2_SP3_SP3	N[5]	P[5]	C[5]	4:3:3:	3:3:2:	3:3:1:1:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,1|O<2>,4|C<3>}	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	118.2750	0.391	2	115.2047	3.868	22	115.1832	3.602	24
542	246	474	5:SP3_SP3_SP3	N[5,5]	P[5,5]	C[5]	3:3:4:	4:3:3:	3:4:1:1:	C[5,6a]-3:P[5,5]-3:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH)	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){4|H<1>,8|C<3>}	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5,6]	4:3:3:	3:3:4:	4:3:4:1:	C[5,6]-4:P[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2)	P[5](N[5]C[5,6]C[6a])2(C[5]C[5]2Fe)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2){1|Fe<10>,3|C<3>,4|C<4>,5|H<1>}	P[5](N[5]C[5,6]C[6a])2(C[5]C[5]2Fe){4|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	109.9000	3.052	2	109.9000	9.314	2	109.9000	9.314	2	109.9000	9.314	2	112.7246	10.762	7	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5,6]	4:3:4:	3:3:1:	4:4:3:1:	C[5,6]-4:P[5]-3:C-4:	N[5]-3:N[5]-3:Cl-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH)	P[5](N[5]C[5,6]C)2(Cl)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH){3|C<4>,3|H<1>}	P[5](N[5]C[5,6]C)2(Cl){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	111.2380	3.145	2	111.2380	9.892	2	111.2380	9.892	2	111.2380	9.892	2	112.7246	10.762	7	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5,6]	4:3:4:	3:3:3:	4:4:3:1:	C[5,6]-4:P[5]-3:S-4:	N[5]-3:N[5]-3:N-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO)	P[5](N[5]C[5,6]S)2(NCC)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO){1|S<4>,2|C<4>,3|H<1>}	P[5](N[5]C[5,6]S)2(NCC){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	115.5987	0.323	3	115.5987	0.104	3	115.5987	0.104	3	115.5987	0.104	3	112.7246	10.762	7	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5]	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	111.2895	4.434	10	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5]	3:4:4:	3:3:3:	4:3:1:1:	P[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	P[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>}	110.9590	4.865	2	110.9590	23.667	2	110.9590	23.667	2	110.9590	23.667	2	111.2895	4.434	10	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5]	3:4:4:	5:3:3:	4:3:1:1:	P[5]-3:C[5]-4:C-4:	C[3x3,4,3x5,14x6]-5:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2{1|C<5>,5|B<6>,8|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	110.2983	0.801	3	110.2983	0.641	3	110.2983	0.641	3	110.2983	0.641	3	111.2895	4.434	10	111.7941	6.779	18
542	246	474	5:SP3_SP3_SP3	N[5]	P[5]	C[5]	3:4:4:	6:3:3:	4:3:1:1:	P[5]-3:C[5]-4:C-4:	C[5x3,5x5,20x6]-6:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH)	P[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]C)2	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	P[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]C)2{1|P<3>,5|B<6>,8|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<6>}	111.7535	1.609	4	111.7535	2.587	4	111.7535	2.587	4	111.7535	2.587	4	111.2895	4.434	10	111.7941	6.779	18
542	246	490	0:SP2_SP3_SP3	N[5]	P[5,5]	C	3:3:4:	3:3:3:	3:1:1:1:	C[5,6a]-3:P[5,5]-3:C-4:	N[5,5]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2{4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	121.3255	0.155	2	121.3255	0.024	2	121.3255	0.024	2	121.3255	0.024	2	121.3255	0.024	2	121.8180	7.201	9
542	246	490	0:SP2_SP3_SP3	N[5]	P[5]	C	3:3:4:	3:3:3:	3:1:1:1:	C[5,6a]-3:P[5]-3:C-4:	N[5]-3:N[5]-3:N-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3)	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH)	C(N[5]C[5,6a]P[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3){1|H<1>,3|C<3>}	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH){4|C<3>}	C(N[5]C[5,6a]P[5])(H)3	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	121.9587	9.494	7	121.8180	7.201	9
542	246	490	0:SP2_SP3_SP3	N[5]	P[5]	C	3:3:4:	3:3:3:	3:4:4:4:	P[5]-3:C[5]-3:C-4:	B[5a]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3)	P[5](B[5a]N[5a]2)(N[5]C[5]C)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	P[5](B[5a]N[5a]2)(N[5]C[5]C)2{2|H<1>,4|C<3>}	C(N[5]C[5]P[5])(CH3)3	123.3530	3.427	2	123.3530	11.742	2	123.3530	11.742	2	123.3530	11.742	2	121.9587	9.494	7	121.8180	7.201	9
542	246	490	0:SP2_SP3_SP3	N[5]	P[5]	C	3:3:4:	6:3:3:	3:4:4:1:	P[5]-3:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH)	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,6|B<6>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,2|C<3>,5|B<6>,6|H<1>}	C(N[5]C[5]P[5])(CH3)2(H)	118.2670	0.000	1	118.2670	0.000	1	118.2670	0.000	1	118.2670	0.000	1	121.9587	9.494	7	121.8180	7.201	9
542	246	490	0:SP2_SP3_SP3	N[5]	P[5]	C	3:4:4:	5:3:3:	3:4:4:4:	P[5]-3:C[5]-4:C-4:	C[3x3,4,3x5,14x6]-5:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2{1|C<5>,5|B<6>,8|H<1>}	C(N[5]C[5]P[5])(CH3)3	126.6210	0.000	1	126.6210	0.000	1	126.6210	0.000	1	126.6210	0.000	1	121.9587	9.494	7	121.8180	7.201	9
542	246	490	0:SP2_SP3_SP3	N[5]	P[5]	C	4:3:4:	3:3:1:	3:4:4:4:	Si[5]-4:P[5]-3:C-4:	C[5,5]-3:N[5]-3:Cl-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3)	P[5](C[5,5]C[5,5]C[5])(N[5]Si[5]C)(Cl)	C(N[5]Si[5]P[5])(CH3)3	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	P[5](C[5,5]C[5,5]C[5])(N[5]Si[5]C)(Cl){2|C<3>,4|C<4>}	C(N[5]Si[5]P[5])(CH3)3	120.2480	0.000	2	120.2480	0.000	2	120.2480	0.000	2	120.2480	0.000	2	121.9587	9.494	7	121.8180	7.201	9
542	246	490	0:SP3_SP3_SP3	N[5]	P[5]	C	3:3:4:	3:3:3:	3:4:4:4:	P[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:P[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3)	P[5](N[5]C[5]C)2(P[5]N[5]2)	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	P[5](N[5]C[5]C)2(P[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]P[5])(CH3)3	123.2660	1.202	2	123.2660	1.445	2	123.2660	1.445	2	123.2660	1.445	2	120.6220	14.169	13	120.6220	14.169	13
542	246	490	0:SP3_SP3_SP3	N[5]	P[5]	C	3:4:4:	3:3:3:	3:4:4:1:	P[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	P[5](C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	C(N[5]C[5]P[5])(CH3)2(H)	119.5935	5.263	2	119.5935	27.699	2	119.5935	27.699	2	119.5935	27.699	2	120.6220	14.169	13	120.6220	14.169	13
542	246	490	0:SP3_SP3_SP3	N[5]	P[5]	C	3:4:4:	5:3:3:	3:4:4:4:	P[5]-3:C[5]-4:C-4:	C[3x3,4,3x5,14x6]-5:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[5]C[5]C)2{1|C<5>,5|B<6>,8|H<1>}	C(N[5]C[5]P[5])(CH3)3	120.2660	3.652	3	120.2660	13.338	3	120.2660	13.338	3	120.2660	13.338	3	120.6220	14.169	13	120.6220	14.169	13
542	246	490	0:SP3_SP3_SP3	N[5]	P[5]	C	3:4:4:	6:3:3:	3:4:4:1:	P[5]-3:C[5]-4:C-4:	C[5x3,5x5,20x6]-6:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH)	P[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]C)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	P[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]C)2{1|P<3>,5|B<6>,8|H<1>}	C(N[5]C[5]P[5])(CH3)2(H)	120.7480	5.141	4	120.7480	26.435	4	120.7480	26.435	4	120.7480	26.435	4	120.6220	14.169	13	120.6220	14.169	13
542	246	490	0:SP3_SP3_SP3	N[5]	P[5]	C	4:3:4:	3:3:1:	3:3:1:1:	C[5,6]-4:P[5]-3:C-4:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH)	P[5](N[5]C[5,6]C)2(Cl)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH){3|C<4>,3|H<1>}	P[5](N[5]C[5,6]C)2(Cl){2|C<4>,2|H<1>}	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	119.2885	3.847	2	119.2885	14.802	2	119.2885	14.802	2	119.2885	14.802	2	120.6220	14.169	13	120.6220	14.169	13
542	246	562	5:SP2_SP3_SP3	N[5]	P[5]	Si[5]	4:3:4:	3:3:1:	4:3:4:4:	Si[5]-4:P[5]-3:C-4:	C[5,5]-3:N[5]-3:Cl-1:	C[5,5]-4:N[5]-3:C-4:C-4:	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3)	P[5](C[5,5]C[5,5]C[5])(N[5]Si[5]C)(Cl)	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	P[5](C[5,5]C[5,5]C[5])(N[5]Si[5]C)(Cl){2|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	113.8790	0.000	2	113.8790	0.000	2	113.8790	0.000	2	113.8790	0.000	2	113.8790	0.000	2	113.8790	0.000	2
542	246	643	0:SP2_SP2_SP3	N[5]	P[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5,5]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2)	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2){2|N<2>,6|C<3>}	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	120.7260	12.255	5	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[5,5]-3:C[5]-3:C[6a]-3:	N[5,5,6]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	P[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	P[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2{8|C<3>}	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	119.8220	1.266	2	119.8220	1.602	2	119.8220	1.602	2	118.7207	4.440	3	120.7260	12.255	5	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[5,5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:P[5,5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	118.7207	4.440	3	120.7260	12.255	5	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5,5]	C[6a]	3:3:4:	4:3:3:	3:3:3:	P[5,5]-3:C[6a]-3:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|P<3>,3|H<1>,6|C<3>}	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){4|H<1>,8|C<3>}	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	125.9680	0.000	1	125.9680	0.000	1	125.9680	0.000	1	125.9680	0.000	1	120.7260	12.255	5	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:P[5]-3:N[5]-2:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5])	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br)	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br){1|C<4>,4|C<3>}	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	125.5095	0.842	2	125.5095	0.709	2	125.5095	0.709	2	125.5095	0.709	2	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl)	P[5](N[5]C[5,6a]C[6a])2(Cl)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl){2|H<1>,6|C<3>}	P[5](N[5]C[5,6a]C[6a])2(Cl){6|C<3>}	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	120.9895	0.697	2	120.9895	0.485	2	120.9895	0.485	2	119.7266	2.411	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(C[5]N[5]C)	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(C[5]N[5]C){2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br){1|C<4>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.6840	0.092	2	119.6840	0.008	2	119.6840	0.008	2	119.7266	2.411	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:P[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C)	P[5](N[5]C[6a]C[5])(P[5]C[5]C)(Cl)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	P[5](N[5]C[6a]C[5])(P[5]C[5]C)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|P<3>,2|C<3>,2|H<1>}	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	119.7266	2.411	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[5,5]-3:C[6a]-3:P[5]-3:	N[5]-3:C[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O)	P[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(OGa)	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O){1|N<3>,3|C<3>,5|C<4>}	P[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(OGa){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	122.6928	0.690	4	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:N[5]-3:N-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N)	P[5](N[5]C[6a]C[5])2(NN)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	123.0600	0.434	2	123.0600	0.188	2	123.0600	0.188	2	122.6928	0.690	4	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC[3,5,5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])2(OC[3,5,5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	122.6928	0.690	4	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	N[5]-3:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N)	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH){4|C<3>}	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	124.2327	12.925	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:B[5a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(B[5a]N[5a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	P[5](N[5]C[6a]C[5])2(B[5a]N[5a]2){2|H<1>,8|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|C<3>,3|H<1>}	123.3375	2.788	2	123.3375	7.774	2	123.3375	7.774	2	124.2327	12.925	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:P[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(P[5]N[5]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	P[5](N[5]C[6a]C[5])2(P[5]N[5]2){2|H<1>,8|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	127.9345	0.581	2	127.9345	0.337	2	127.9345	0.337	2	124.2327	12.925	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:P[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C)	P[5](N[5]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,6|C<3>}	P[5](N[5]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	119.0020	0.000	1	119.0020	0.000	1	119.0020	0.000	1	124.2327	12.925	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C){2|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.2290	2.578	2	124.2290	6.647	2	124.5567	1.835	6	124.5567	1.835	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H){4|H<1>,6|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.4745	1.341	2	124.4745	1.799	2	124.5567	1.835	6	124.5567	1.835	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2Li)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Li<7>,1|H<1>,3|C<3>,4|C<4>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2Li){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.9665	0.408	2	124.9665	0.166	2	124.5567	1.835	6	124.5567	1.835	6	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.1920	0.823	3	124.1920	0.677	3	123.1978	3.964	5	123.1978	3.964	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){1|P<3>,3|C<3>,3|H<1>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.8240	0.000	1	119.8240	0.000	1	123.1978	3.964	5	123.1978	3.964	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.5890	0.000	1	123.5890	0.000	1	123.1978	3.964	5	123.1978	3.964	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:N-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N)	P[5](N[5]C[6a]C[5])2(NN)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(NN){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	124.3050	1.230	2	124.3050	1.514	2	124.3050	1.514	2	122.7305	4.108	8	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	124.0915	2.003	2	124.0915	4.013	2	122.4345	5.102	4	122.7305	4.108	8	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){3|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.7775	0.558	2	120.7775	0.311	2	122.4345	5.102	4	122.7305	4.108	8	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:S-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S)	P[5](N[5]C[6a]C[5])2(SC)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(SC){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	121.7480	2.167	2	121.7480	4.694	2	121.7480	4.694	2	122.7305	4.108	8	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	P[5](N[5]C[6a]C[5])2(CNO)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(CNO){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	125.1325	3.012	2	125.1325	9.070	2	124.7290	3.474	4	124.2164	3.919	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	P[5](N[5]C[6a]C[5])2(CSS)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])2(CSS){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.3255	0.837	2	124.3255	0.700	2	124.7290	3.474	4	124.2164	3.919	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:3:	3:3:3:	P[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{4|C<3>,4|H<1>}	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	124.2164	3.919	5	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl){3|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,3|C<3>,4|H<1>}	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	4:3:3:	3:3:2:	3:3:3:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC){3|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<2>,3|C<3>,4|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	122.2070	0.157	2	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP2_SP2_SP3	N[5]	P[5]	C[6a]	4:3:3:	3:3:2:	3:3:3:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC){2|H<1>,5|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|O<2>,3|C<3>,4|H<1>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	122.2070	0.157	2	123.1832	5.701	44	122.9324	6.693	49
542	246	643	0:SP3_SP2_SP3	N[5]	P[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5,5]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2)	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2){2|N<2>,6|C<3>}	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	112.4495	1.097	2	117.8582	16.446	8
542	246	643	0:SP3_SP2_SP3	N[5]	P[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[5,5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:P[5,5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	112.4495	1.097	2	117.8582	16.446	8
542	246	643	0:SP3_SP2_SP3	N[5]	P[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	P[5,6]-3:C[6a]-3:C[5]-3:	P[5,6]-3:N[5]-3:C[6]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	P[5,6](P[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6a](N[5]P[5,6]C[5])(C[6a]C[6a]C)2	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	P[5,6](P[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5]P[5,6]C[5])(C[6a]C[6a]C)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	117.8582	16.446	8
542	246	643	0:SP3_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC[3,5,5])	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])2(OC[3,5,5]){2|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	119.9552	8.354	5	117.8582	16.446	8
542	246	643	0:SP3_SP2_SP3	N[5]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:P[5]-3:	N[5,6]-3:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N){2|C<4>,4|C<3>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2){2|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	119.9552	8.354	5	117.8582	16.446	8
542	246	643	0:SP3_SP2_SP3	N[5]	P[5]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	P[5](N[5]C[6a]C[5])2(Cl)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	P[5](N[5]C[6a]C[5])2(Cl){4|C<3>,4|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	119.9552	8.354	5	117.8582	16.446	8
542	246	643	0:SP3_SP2_SP3	N[5]	P[5]	C[6a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:P[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2)	P[5](N[5]C[5,6]C[6a])2(C[5]C[5]2Fe)	C[6a](N[5]C[5,6]P[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2){1|Fe<10>,3|C<3>,4|C<4>,5|H<1>}	P[5](N[5]C[5,6]C[6a])2(C[5]C[5]2Fe){4|C<3>,4|C<4>,4|H<1>}	C[6a](N[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	117.9210	4.185	2	117.9210	17.511	2	117.9210	17.511	2	117.9210	17.511	2	119.9552	8.354	5	117.8582	16.446	8
542	246	727	5:SP2_SP2_SP3	N[5]	P[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5,5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2){2|N<2>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.9943	0.225	3	113.7061	0.227	7
542	246	727	5:SP2_SP2_SP3	N[5]	P[5,5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:P[5,5]-3:C-4:	N[5,5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2{4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	114.2055	0.426	2	114.2055	0.182	2	114.2055	0.182	2	114.2055	0.182	2	113.9943	0.225	3	113.7061	0.227	7
542	246	727	5:SP2_SP2_SP3	N[5]	P[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	N[5]-3:N[5]-3:Cl-1:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl)	P[5](N[5]C[5,6a]C[6a])2(Cl)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl){2|H<1>,6|C<3>}	P[5](N[5]C[5,6a]C[6a])2(Cl){6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	113.4340	0.683	2	113.4340	0.467	2	113.4340	0.467	2	113.4340	0.467	2	113.4900	0.160	4	113.7061	0.227	7
542	246	727	5:SP2_SP2_SP3	N[5]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	N[5]-3:N[5]-3:N-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N)	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH){4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	113.4900	0.160	4	113.7061	0.227	7
542	246	727	5:SP2_SP2_SP3	N[5]	P[5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C-4:	N[5]-3:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3)	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3){1|H<1>,3|C<3>}	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(NCH){4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	113.4900	0.160	4	113.7061	0.227	7
542	246	727	5:SP3_SP2_SP3	N[5,5]	P[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	N[5,5]-3:N[5]-3:N[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2){2|C<4>,2|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2{4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.6895	0.015	2	110.6895	0.000	2	110.6895	0.000	2	110.4790	0.852	4	110.8380	1.283	5	110.9160	1.063	6
542	246	727	5:SP3_SP2_SP3	N[5,5]	P[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	N[5]-3:N[5]-3:N[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2){2|H<1>,6|C<3>}	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2){2|N<2>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	110.2685	1.542	2	110.2685	2.378	2	110.2685	2.378	2	110.4790	0.852	4	110.8380	1.283	5	110.9160	1.063	6
542	246	727	5:SP3_SP2_SP3	N[5,5]	P[5,5]	C[5,6a]	3:3:4:	4:3:3:	3:3:3:	C[5,6a]-3:P[5,5]-3:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH)	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	P[5,5](P[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	110.8380	1.283	5	110.9160	1.063	6
542	246	727	5:SP3_SP2_SP3	N[5]	P[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	N[5]-3:N[5]-3:N[5,5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	P[5,5](N[5]C[5,6a]C[6a])2(N[5,5]C[5,6a]2){2|N<2>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	110.9160	1.063	6
542	246	762	0:SP2_SP2_SP3	N[5,6]	P[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-3:P[5]-3:	N[5,6]-3:N[5]-3:N-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N){2|C<3>,3|H<1>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.5190	0.000	1	124.5190	0.000	1	124.5190	0.000	1	124.5190	0.000	1	124.5190	0.000	1	124.5190	0.000	1
542	246	818	5:SP2_SP2_SP3	N[5,5,6]	P[5,5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:P[5,5]-3:	N[5,5,6]-3:N[5]-3:N[5]-3:	N[5,5,6]-3:C[5]-3:C[6]-3:	N[5,5,6](C[5,6]C[5]C[6])2(P[5,5]N[5]2)	P[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6])2(P[5,5]N[5]2){2|H<1>,5|C<3>}	P[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2{8|C<3>}	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	120.4390	0.126	2	120.4390	0.016	2	120.4390	0.016	2	120.4390	0.016	2	120.4390	0.016	2	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5,6]	P[5]	C[5,5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,5,6]-3:P[5]-3:C[6]-4:	N[5,6]-3:N[5,6]-3:N-3:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH)	P[5](N[5,6]C[5,5,6]C[6])2(NCC)	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH){1|As<3>,1|N<3>,2|C<4>,2|H<1>}	P[5](N[5,6]C[5,5,6]C[6])2(NCC){2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	114.4410	0.570	2	114.4410	0.325	2	114.4410	0.325	2	114.4410	0.325	2	114.4410	0.325	2	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5,6]	P[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:P[5]-3:	N[5,6]-3:N[5]-3:N-3:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N){2|C<3>,3|H<1>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2){2|H<1>,4|C<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	115.6087	0.544	3	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5,6]	P[5]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:P[5]-3:C[6]-4:	N[5,6]-3:N[5,6]-3:N-3:	C[5,6]-3:N[5,6]-3:N[6]-3:	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH)	P[5](N[5,6]C[5,6]C[6])2(NCC)	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb)	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH){1|Sb<5>,1|N<3>,2|C<4>,2|H<1>}	P[5](N[5,6]C[5,6]C[6])2(NCC){2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb){1|N<3>,3|C<4>,4|H<1>}	116.0335	0.074	2	116.0335	0.006	2	116.0335	0.006	2	116.0335	0.006	2	115.6087	0.544	3	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5,5]	C[5]	3:3:3:	3:3:3:	3:3:3:	P[5,5]-3:C[5]-3:C[6a]-3:	N[5,5,6]-3:N[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:C[6a]-3:	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	P[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	P[5,5](N[5,5,6]C[5,6]2)(N[5]C[6a]C[5])2{8|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	115.8195	0.170	2	115.8195	0.029	2	115.8195	0.029	2	115.8195	0.029	2	116.2013	0.452	3	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5,5]	C[5]	3:3:3:	3:3:3:	3:3:4:	P[5,5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:P[5,5]-3:	N[5]-3:C[5]-3:C-4:	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2)	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3)	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3){1|N<3>,3|C<3>}	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.2013	0.452	3	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5,5]	3:3:3:	3:3:2:	3:3:4:	C[5,5]-3:C[6a]-3:P[5]-3:	N[5]-3:C[5]-3:O-2:	C[5,5]-3:N[5]-3:C[5]-4:	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O)	P[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(OGa)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O){1|N<3>,3|C<3>,5|C<4>}	P[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(OGa){1|C<4>,1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:N[5]-3:Br-1:	N[5]-3:N[5]-2:C-4:	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(C[5]N[5]C)	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br)	C[5](N[5]C[6a]P[5])(N[5]N[5])(CC3)	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(C[5]N[5]C){2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br){1|C<4>,4|C<3>}	C[5](N[5]C[6a]P[5])(N[5]N[5])(CC3){1|Br<1>,3|C<3>}	111.2905	0.172	2	111.2905	0.030	2	111.2905	0.030	2	111.2905	0.030	2	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:P[5]-3:Cl-1:	N[5]-3:C[5]-3:C-4:	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C)	P[5](N[5]C[6a]C[5])(P[5]C[5]C)(Cl)	C[5](N[5]C[6a]P[5])(C[5]P[5]H)(CC3)	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	P[5](N[5]C[6a]C[5])(P[5]C[5]C)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[6a]P[5])(C[5]P[5]H)(CC3){1|Cl<1>,1|C<4>,2|C<3>}	116.7240	0.000	1	116.7240	0.000	1	116.7240	0.000	1	116.7240	0.000	1	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:N[5]-3:N-2:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N)	P[5](N[5]C[6a]C[5])2(NN)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	112.8635	0.221	2	112.8635	0.049	2	112.8635	0.049	2	112.5700	0.283	3	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC[3,5,5])	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])2(OC[3,5,5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|O<2>,3|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	112.5700	0.283	3	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:B[5a]-3:	N[5]-3:C[5]-3:H-1:	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(B[5a]N[5a]2)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	P[5](N[5]C[6a]C[5])2(B[5a]N[5a]2){2|H<1>,8|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	106.0245	0.699	2	106.0245	0.489	2	106.0245	0.489	2	107.9158	4.958	4	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:P[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(P[5]N[5]2)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	P[5](N[5]C[6a]C[5])2(P[5]N[5]2){2|H<1>,8|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	109.8070	0.280	2	109.8070	0.078	2	109.8070	0.078	2	107.9158	4.958	4	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:P[5]-3:C[6a]-3:	N[5]-3:C[5]-3:C-4:	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C)	P[5](N[5]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3)	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,6|C<3>}	P[5](N[5]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3){4|C<3>}	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	111.0430	0.129	2	111.0430	0.017	2	111.5280	0.189	6	111.5280	0.189	6	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H){4|H<1>,6|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	111.6715	0.107	2	111.6715	0.011	2	111.5280	0.189	6	111.5280	0.189	6	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2Li)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Li<7>,1|H<1>,3|C<3>,4|C<4>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2Li){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	111.8695	0.415	2	111.8695	0.172	2	111.5280	0.189	6	111.5280	0.189	6	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	P[5]-3:C[5]-3:C-4:	B[5a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3)	P[5](B[5a]N[5a]2)(N[5]C[5]C)2	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	P[5](B[5a]N[5a]2)(N[5]C[5]C)2{2|H<1>,4|C<3>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|B<3>,1|C<4>}	104.6685	0.482	2	104.6685	0.232	2	104.6685	0.232	2	104.6685	0.232	2	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP2_SP2_SP3	N[5]	P[5]	C[5]	3:3:4:	6:3:3:	6:3:2:	P[5]-3:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[6a]-3:N[5]-3:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH)	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]P[5]C)(NC)	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,6|B<6>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,2|C<3>,5|B<6>,6|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]P[5]C)(NC){1|C<3>,4|H<1>,5|B<6>}	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	111.3175	17.233	20	112.9563	18.690	31
542	246	818	5:SP3_SP2_SP3	N[5]	P[5,5]	C[5]	3:3:3:	3:3:3:	3:3:4:	P[5,5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:P[5,5]-3:	N[5]-3:C[5]-3:C-4:	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2)	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3)	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	P[5,5](N[5]C[6a]C[5])2(P[5,5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3){1|N<3>,3|C<3>}	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	112.5942	28.595	6
542	246	818	5:SP3_SP2_SP3	N[5]	P[5,6]	C[5]	3:3:3:	3:3:4:	3:3:3:	P[5,6]-3:C[6a]-3:C[5]-3:	P[5,6]-3:N[5]-3:C[6]-4:	N[5]-3:C[5]-3:C-3:	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	P[5,6](P[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5](N[5]P[5,6]C[6a])(C[5]P[5,6]O)(CHN)	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	P[5,6](P[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]P[5,6]C[6a])(C[5]P[5,6]O)(CHN){2|C<3>,2|C<4>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	112.5942	28.595	6
542	246	818	5:SP3_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	P[5](N[5]C[6a]C[5])2(OC[3,5,5])	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	P[5](N[5]C[6a]C[5])2(OC[3,5,5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|O<2>,3|C<3>}	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	109.9555	18.317	4	112.5942	28.595	6
542	246	818	5:SP3_SP2_SP3	N[5]	P[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:P[5]-3:	N[5,6]-3:N[5]-3:N-3:	C[5,6]-3:N[5]-3:H-1:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N){2|C<4>,4|C<3>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(NSi2){2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,1|N<3>,4|C<3>}	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	109.9555	18.317	4	112.5942	28.595	6
542	246	818	5:SP3_SP2_SP3	N[5]	P[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	P[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:P[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3)	P[5](N[5]C[5]C)2(P[5]N[5]2)	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	P[5](N[5]C[5]C)2(P[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>,1|P<3>}	106.4485	0.196	2	106.4485	0.038	2	106.4485	0.038	2	106.4485	0.038	2	109.9555	18.317	4	112.5942	28.595	6
542	246	951	0:SP2_SP-NON_SP3	N[5]	P[5]	H	3:2:1:	5:4:3:	3:	P[5]-3:N[5]-2:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:N[5]-3:	N[5]-3:	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H)	H(N[5]N[5]P[5])	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H){2|Si<4>,1|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H){1|Si<4>,1|C<5>,4|H<1>,5|B<6>}	H(N[5]N[5]P[5])	120.7030	0.000	1	120.7030	0.000	1	120.7030	0.000	1	120.7030	0.000	1	120.7030	0.000	1	120.7030	0.000	1
542	246	952	0:SP2_SP3_SP3	N[5]	P[5]	S	4:3:4:	3:3:3:	3:4:1:1:	C[5,6]-4:P[5]-3:S-4:	N[5]-3:N[5]-3:N-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO)	P[5](N[5]C[5,6]S)2(NCC)	S(N[5]C[5,6]P[5])(CF3)(O)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO){1|S<4>,2|C<4>,3|H<1>}	P[5](N[5]C[5,6]S)2(NCC){2|C<4>,2|H<1>}	S(N[5]C[5,6]P[5])(CF3)(O)2	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1
542	246	952	0:SP3_SP3_SP3	N[5]	P[5]	S	4:3:4:	3:3:3:	3:4:1:1:	C[5,6]-4:P[5]-3:S-4:	N[5]-3:N[5]-3:N-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO)	P[5](N[5]C[5,6]S)2(NCC)	S(N[5]C[5,6]P[5])(CF3)(O)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]N)(SCOO){1|S<4>,2|C<4>,3|H<1>}	P[5](N[5]C[5,6]S)2(NCC){2|C<4>,2|H<1>}	S(N[5]C[5,6]P[5])(CF3)(O)2	116.4883	0.555	3	116.4883	0.308	3	116.4883	0.308	3	116.4883	0.308	3	116.4883	0.308	3	116.4883	0.308	3
542	246	960	5:SP2_SP2_SP3	N[5]	P[5]	N[5]	3:2:1:	5:4:3:	3:3:	P[5]-3:N[5]-2:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:N[5]-3:	C[5]-3:N[5]-3:	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H)	N[5](C[5]C[5]Si)(N[5]P[5]H)	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H){2|Si<4>,1|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H){1|Si<4>,1|C<5>,4|H<1>,5|B<6>}	N[5](C[5]C[5]Si)(N[5]P[5]H){1|Si<4>,1|C<5>,1|H<1>}	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	115.4393	3.132	3	115.4393	3.132	3
542	246	960	5:SP2_SP2_SP3	N[5]	P[5]	N[5]	3:3:2:	3:3:1:	3:3:	C[6a]-3:P[5]-3:N[5]-2:	N[5]-3:N[5]-3:Br-1:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5])	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br)	N[5](N[5]C[6a]P[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(Br){1|C<4>,4|C<3>}	N[5](N[5]C[6a]P[5])(C[5]N[5]C){1|Br<1>,3|C<3>}	114.4215	0.220	2	114.4215	0.048	2	114.4215	0.048	2	114.4215	0.048	2	115.4393	3.132	3	115.4393	3.132	3
542	278	474	0:SP2_SP2_SP3	N[5,6]	Ge[6]	C[5]	3:4:3:	3:3:3:	3:3:4:1:	Ge[6]-3:C[5]-4:C[5,6]-3:	N[5,6]-3:N[5,6]-3:O[5]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])	Ge[6](N[5,6]C[5,6]C[5])2(O[5]C[5]2)	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5]){2|H<1>,3|C<3>,4|C<4>}	Ge[6](N[5,6]C[5,6]C[5])2(O[5]C[5]2){2|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	120.5300	1.075	2	120.5300	1.155	2	120.5300	1.155	2	120.5300	1.155	2	122.1723	4.531	4	122.1723	4.531	4
542	278	474	0:SP2_SP2_SP3	N[5,6]	Ge[6]	C[5]	4:3:3:	3:3:1:	3:3:4:1:	C[5]-4:C[5,6]-3:Ge[6]-3:	N[5,6]-3:N[5,6]-3:Cl-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl)	Ge[6](N[5,6]C[5,6]C[5])2(Cl)	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl){2|C<4>,2|H<1>,3|C<3>}	Ge[6](N[5,6]C[5,6]C[5])2(Cl){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	123.8145	1.285	2	123.8145	1.651	2	123.8145	1.651	2	123.8145	1.651	2	122.1723	4.531	4	122.1723	4.531	4
542	278	818	6:SP2_SP2_SP2	N[5,6]	Ge[6]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	Ge[6]-3:C[5]-4:C[5,6]-3:	N[5,6]-3:N[5,6]-3:O[5]-3:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])	Ge[6](N[5,6]C[5,6]C[5])2(O[5]C[5]2)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5]){2|H<1>,3|C<3>,4|C<4>}	Ge[6](N[5,6]C[5,6]C[5])2(O[5]C[5]2){2|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,1|O<3>,3|H<1>}	129.1405	0.129	2	129.1405	0.017	2	129.1405	0.017	2	129.1405	0.017	2	127.8153	2.357	4	127.8153	2.357	4
542	278	818	6:SP2_SP2_SP2	N[5,6]	Ge[6]	C[5,6]	4:3:3:	3:3:1:	3:3:2:	C[5]-4:C[5,6]-3:Ge[6]-3:	N[5,6]-3:N[5,6]-3:Cl-1:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl)	Ge[6](N[5,6]C[5,6]C[5])2(Cl)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl){2|C<4>,2|H<1>,3|C<3>}	Ge[6](N[5,6]C[5,6]C[5])2(Cl){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	126.4900	0.170	2	126.4900	0.029	2	126.4900	0.029	2	126.4900	0.029	2	127.8153	2.357	4	127.8153	2.357	4
542	314	474	0:SP2_SP1_SP3	N[5,6]	Ge[6]	C[5]	4:3:2:	3:3:	3:3:4:1:	C[5]-4:C[5,6]-3:Ge[6]-2:	N[5,6]-3:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6])	Ge[6](N[5,6]C[5,6]C[5])2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]){2|C<4>,2|H<1>,3|C<3>}	Ge[6](N[5,6]C[5,6]C[5])2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	121.7914	1.243	10	121.7914	1.545	10	121.7914	1.545	10	121.7914	1.545	10	121.7914	1.545	10	121.7914	1.545	10
542	314	818	6:SP2_SP1_SP2	N[5,6]	Ge[6]	C[5,6]	4:3:2:	3:3:	3:3:2:	C[5]-4:C[5,6]-3:Ge[6]-2:	N[5,6]-3:N[5,6]-3:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6])	Ge[6](N[5,6]C[5,6]C[5])2	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]){2|C<4>,2|H<1>,3|C<3>}	Ge[6](N[5,6]C[5,6]C[5])2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	128.4975	1.218	10	128.4975	1.484	10	128.4975	1.484	10	128.4975	1.484	10	128.4975	1.484	10	128.4975	1.484	10
542	334	334	5:SP2_SP1_SP1	N[5]	C[5]	C[5]	2:2:1:	3:2:	3:2:	C[5]-2:C[5]-2:C-1:	N[5]-3:C[5]-2:	N[5]-3:N[5]-2:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](N[5]C[5]C)(N[5]C[5])	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	107.6589	2.402	7	107.6589	2.402	7
542	334	334	5:SP2_SP1_SP1	N[5]	C[5]	C[5]	2:2:4:	3:2:	3:2:	C[5]-2:C[5]-2:C-4:	N[5]-3:C[5]-2:	N[5]-3:C[5]-2:	N[5](C[5]C[5])2(CH3)	C[5](N[5]C[5]C)(C[5]C[5])	C[5](N[5]C[5]C)(C[5]C[5])	N[5](C[5]C[5])2(CH3)	C[5](N[5]C[5]C)(C[5]C[5])	C[5](N[5]C[5]C)(C[5]C[5])	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	107.6589	2.402	7	107.6589	2.402	7
542	334	334	5:SP2_SP1_SP1	N[5]	C[5]	C[5]	3:2:2:	3:2:	3:3:	C[6]-3:C[5]-2:C[5]-2:	N[5]-3:N[5]-2:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2)(C[5]N[5])2	C[5](N[5]C[5]C[6])(N[5]N[5])	C[5](N[5]C[5]C[6])(N[5]N[5]Fe)	N[5](C[6]C[6]2)(C[5]N[5])2{1|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]){1|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]Fe){2|C<2>}	106.8905	0.395	2	106.8905	0.156	2	106.8905	0.156	2	106.8905	0.156	2	107.6589	2.402	7	107.6589	2.402	7
542	334	334	5:SP2_SP1_SP1	N[5]	C[5]	C[5]	3:2:2:	3:3:	3:3:	C[6]-3:C[5]-2:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2)(C[5]N[5])2	C[5](N[5]C[5]C[6])(N[5]N[5]Fe)	C[5](N[5]C[5]C[6])(N[5]N[5]Fe)	N[5](C[6]C[6]2)(C[5]N[5])2{2|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]Fe){1|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]Fe){1|Fe<6>,2|C<2>}	106.6807	0.151	3	106.6807	0.023	3	106.6807	0.023	3	106.6807	0.023	3	107.6589	2.402	7	107.6589	2.402	7
542	334	334	5:SP3_SP1_SP1	N[5]	C[5]	C[5]	2:2:1:	3:2:	3:2:	C[5]-2:C[5]-2:C-1:	N[5]-3:C[5]-2:	N[5]-3:N[5]-2:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](N[5]C[5]C)(N[5]C[5])	111.3285	2.220	2	111.3285	4.927	2	111.3285	4.927	2	111.3285	4.927	2	106.9677	22.930	9	106.9677	22.930	9
542	334	334	5:SP3_SP1_SP1	N[5]	C[5]	C[5]	2:2:1:	3:2:	3:3:	C[5]-2:C[5]-2:C-1:	N[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](N[5]C[5]C)2	N[5](C[5]C[5])(C[5]N[5])(C){1|C<2>}	C[5](N[5]C[5]C)(C[5]N[5]){1|C<2>}	C[5](N[5]C[5]C)2	108.6530	1.220	2	108.6530	1.490	2	108.6530	1.490	2	108.6530	1.490	2	106.9677	22.930	9	106.9677	22.930	9
542	334	334	5:SP3_SP1_SP1	N[5]	C[5]	C[5]	2:2:1:	3:3:	3:3:	C[5]-2:C[5]-2:C-1:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5])(C[5]N[5])(C){1|Cu<5>,1|C<2>}	C[5](C[5]N[5]C)(N[5]C[5]C){1|Cu<5>}	C[5](N[5]C[5]Cu)(N[5]C[5]C){1|C<2>}	104.8980	0.908	2	104.8980	0.824	2	104.8980	0.824	2	104.8980	0.824	2	106.9677	22.930	9	106.9677	22.930	9
542	334	334	5:SP3_SP1_SP1	N[5]	C[5]	C[5]	2:2:2:	3:2:	3:3:	C[5]-2:C[5]-2:C-2:	N[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(CC)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](N[5]C[5]C)2	N[5](C[5]C[5])(C[5]N[5])(CC){1|C<1>}	C[5](N[5]C[5]C)(C[5]N[5]){1|C<1>}	C[5](N[5]C[5]C)2	108.3250	2.540	2	108.3250	6.451	2	108.3250	6.451	2	108.3250	6.451	2	106.9677	22.930	9	106.9677	22.930	9
542	334	334	5:SP3_SP1_SP1	N[5]	C[5]	C[5]	2:2:2:	3:3:	3:3:	C[5]-2:C[5]-2:C-2:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(CC)	C[5](C[5]N[5]H)(N[5]C[5]C)	C[5](N[5]C[5]C)2	N[5](C[5]C[5])(C[5]N[5])(CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>}	C[5](N[5]C[5]C)2{1|H<1>}	96.3007	0.000	1	96.3007	0.000	1	96.3007	0.000	1	96.3007	0.000	1	106.9677	22.930	9	106.9677	22.930	9
542	334	466	0:SP2_SP1_SP3	N[5]	C[5]	C[3x6]	4:2:2:	3:3:	4:4:4:3:	C[3x6]-4:C[5]-2:N[5]-2:	N[5]-3:N[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5])	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5])	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5]){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5]){3|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	128.4690	0.054	2	128.4690	0.003	2	128.4690	0.003	2	128.4690	0.003	2	128.4690	0.003	2	128.4690	0.003	2
542	334	474	5:SP2_SP1_SP3	N[5]	C[5]	C[5,5]	4:3:2:	3:3:	3:4:3:1:	C[5,5]-4:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[5,5]C[6a])2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]){1|H<1>,2|C<4>,6|C<3>}	C[5](N[5]C[5,5]C[6a])2{2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	115.4355	0.104	2	115.4355	0.011	2	115.4355	0.011	2	115.4355	0.011	2	115.4355	0.011	2	115.4158	0.863	19
542	334	474	5:SP2_SP1_SP3	N[5]	C[5]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	115.5488	0.281	6	115.3881	0.108	12	115.4449	0.129	14	115.4449	0.129	14	115.4135	0.970	17	115.4158	0.863	19
542	334	474	5:SP2_SP1_SP3	N[5]	C[5]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	115.2273	0.312	6	115.3881	0.108	12	115.4449	0.129	14	115.4449	0.129	14	115.4135	0.970	17	115.4158	0.863	19
542	334	474	5:SP2_SP1_SP3	N[5]	C[5]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,2|C<3>}	115.7855	0.463	2	115.7855	0.215	2	115.4449	0.129	14	115.4449	0.129	14	115.4135	0.970	17	115.4158	0.863	19
542	334	474	5:SP2_SP1_SP3	N[5]	C[5]	C[5]	3:4:2:	4:3:	3:4:4:4:	C[6a]-3:C[5]-4:C[5]-2:	C[5,6]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5]){2|C<3>,4|C<4>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<3>,2|C<4>}	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	115.4135	0.970	17	115.4158	0.863	19
542	334	474	5:SP2_SP1_SP3	N[5]	C[5]	C[5]	4:2:4:	3:3:	4:3:1:1:	C[5]-4:C[5]-2:P-4:	N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	113.7745	0.633	2	113.7745	0.401	2	113.7745	0.401	2	113.7745	0.401	2	115.4135	0.970	17	115.4158	0.863	19
542	334	486	0:SP2_SP1_SP3	N[5]	C[5]	C[3]	4:2:2:	3:3:	3:4:3:1:	C[3]-4:C[5]-2:N[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[3]-4:C[3]-3:H-1:	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5])	C[5](N[5]C[3]N[5])(N[5]N[5]Fe)	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H)	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5]){1|Fe<6>,3|H<1>}	C[5](N[5]C[3]N[5])(N[5]N[5]Fe){1|C<3>,1|C<4>,1|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H){1|N<2>,1|N<3>}	129.7140	0.000	1	129.7140	0.000	1	129.7140	0.000	1	129.7140	0.000	1	129.7140	0.000	1	129.7140	0.000	1
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	2:2:4:	3:2:	3:1:1:1:	C[5]-2:C[5]-2:C-4:	N[5]-3:C[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5])2(CH3)	C[5](N[5]C[5]C)(C[5]C[5])	C(N[5]C[5]2)(H)3	N[5](C[5]C[5])2(CH3)	C[5](N[5]C[5]C)(C[5]C[5])	C(N[5]C[5]2)(H)3	124.8260	7.712	2	124.8260	59.470	2	124.8260	59.470	2	124.8260	59.470	2	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	2:2:4:	3:3:	3:1:1:1:	C[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5])(N[5]N[5])(CH3)	C[5](N[5]N[5]Fe)(N[5]N[5]C)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5])(N[5]N[5])(CH3){1|Fe<6>}	C[5](N[5]N[5]Fe)(N[5]N[5]C)	C(N[5]C[5]N[5])(H)3	130.0640	0.000	1	130.0640	0.000	1	130.0640	0.000	1	130.0640	0.000	1	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	2:2:4:	3:3:	3:4:1:1:	C[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5])(N[5]N[5])(CCHH)	C[5](C[5]N[5]C)(N[5]N[5]C)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5])(N[5]N[5])(CCHH){1|C<4>}	C[5](C[5]N[5]C)(N[5]N[5]C)	C(N[5]C[5]N[5])(CHHO)(H)2	128.5390	0.000	1	128.5390	0.000	1	128.5390	0.000	1	128.5390	0.000	1	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	2:2:4:	3:3:	3:4:4:4:	C[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]N[5])(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)	C(N[5]C[5]N[5])(CH3)3	N[5](C[5]N[5])(N[5]C[5])(CC3){2|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5]C){3|C<3>}	C(N[5]C[5]N[5])(CH3)3	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:2:	3:1:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]C)(C[5]C[5])(CH3)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]C)(C[5]C[5])(CH3){1|Cu<4>}	C[5](N[5]C[5]C)(C[5]N[5]){1|Cu<4>,1|C<4>}	C(N[5]C[5]2)(H)3	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:2:	3:3:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-2:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]N[5]Pt)(C[5]N[5])(CN[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]N[5])(CN[5]HH){1|C<4>}	C[5](N[5]C[5]C)(N[5]N[5]){1|Pt<4>,1|C<4>}	C(N[5]C[5]2)2(H)2	128.0420	0.000	1	128.0420	0.000	1	128.0420	0.000	1	128.0420	0.000	1	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:2:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)(N[5]C[5])	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]){1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	121.7030	0.000	1	121.7030	0.000	1	123.3295	5.291	2	123.3295	5.291	2	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:2:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)(N[5]N[5])	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5])(CCHH){1|C<4>}	C[5](N[5]C[5]C)(N[5]N[5]){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	124.9560	0.000	1	124.9560	0.000	1	123.3295	5.291	2	123.3295	5.291	2	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:1:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C)(C[5]N[5])(CH3)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5])(CH3){2|C<4>}	C[5](N[5]C[5]C)2{2|C<4>}	C(N[5]C[5]2)(H)3	123.0910	0.000	1	123.0910	0.000	1	129.1267	73.705	3	129.1267	73.705	3	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:1:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|C<2>}	C[5](N[5]C[5]C)2{1|H<1>}	C(N[5]C[5]2)(H)3	138.9550	0.000	1	138.9550	0.000	1	129.1267	73.705	3	129.1267	73.705	3	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:1:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C[5](N[5]C[5]Mo)(N[5]C[5]C)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|Mo<7>,1|H<1>}	C[5](N[5]C[5]Mo)(N[5]C[5]C){2|H<1>}	C(N[5]C[5]2)(H)3	125.3340	0.000	1	125.3340	0.000	1	129.1267	73.705	3	129.1267	73.705	3	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:3:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C(N[5]C[5]2)2(H)2	122.4300	0.782	2	122.4300	0.612	2	122.4300	0.612	2	122.4300	0.612	2	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5,6]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH)	C[5](N[5]C[5,6]C)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C[5](N[5]C[5,6]C)2{2|P<4>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	121.5130	0.171	2	121.5130	0.029	2	121.5130	0.029	2	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	C[5](N[5]C[5,6a]C)2	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]N[5]H)(C[5]C[5])(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]H)(C[5]C[5])(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	127.9820	0.000	1	127.9820	0.000	1	127.9820	0.000	1	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Rh<6>,1|C<4>}	C[5](N[5]C[5]C)2{1|Rh<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	125.7750	0.000	1	125.7750	0.000	1	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]Co)(N[5]C[5]C)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	125.7860	0.000	1	125.7860	0.000	1	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	123.6920	0.000	1	123.6920	0.000	1	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	123.0670	0.065	2	123.0670	0.004	2	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	123.7950	0.000	1	123.7950	0.000	1	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	122.3620	0.000	1	122.3620	0.000	1	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]Rh)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]C[5]Rh)(C[5]N[5])(CCHH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{1|Rh<6>,1|H<1>}	C(N[5]C[5]2)(CRhCH)(H)2	130.1100	0.000	1	130.1100	0.000	1	124.7067	6.320	8	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:1:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:Si-4:H-1:H-1:	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(SiSiCN)(H)2	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH){2|C<4>}	C[5](N[5]C[5]C)2{2|C<4>}	C(N[5]C[5]2)(SiSiCN)(H)2	123.0690	0.000	1	123.0690	0.000	1	123.0690	0.000	1	124.3291	6.354	13	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:1:	C[5,6a]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	C[5](N[5]C[5,6a]C)2	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	122.9990	0.000	1	122.9990	0.000	1	122.9990	0.000	1	122.8166	0.186	5	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]C)(C[5]N[5])(CCCH)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5])(CCCH){2|C<4>}	C[5](N[5]C[5]C)2{2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	122.7573	0.592	3	122.7573	0.350	3	122.7710	0.234	4	122.8166	0.186	5	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH)	C[5](N[5]C[5]C)(N[5]N[5]P)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH){1|P<3>,2|C<3>}	C[5](N[5]C[5]C)(N[5]N[5]P){1|C<3>}	C(N[5]C[5]2)(CH3)2(H)	122.8120	0.000	1	122.8120	0.000	1	122.7710	0.234	4	122.8166	0.186	5	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{2|H<1>}	C(N[5]C[5]2)(CH3)3	123.5903	2.586	6	123.7786	5.820	7	123.5215	4.131	10	123.5215	4.131	10	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|Si<4>,1|C<4>}	C[5](N[5]C[5]C)2{1|Si<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	124.9080	0.000	1	123.7786	5.820	7	123.5215	4.131	10	123.5215	4.131	10	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]O)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]O)(C[5]N[5])(CC3){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2{2|O<1>}	C(N[5]C[5]2)(CH3)3	123.2345	0.356	2	123.2345	0.127	2	123.5215	4.131	10	123.5215	4.131	10	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:2:4:	3:3:	3:4:4:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]Si)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]Si)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{1|Si<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	122.2960	0.000	1	122.2960	0.000	1	123.5215	4.131	10	123.5215	4.131	10	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:4:2:	3:3:	3:3:1:1:	C[5,6a]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[5,6a]C)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	124.9140	0.000	1	124.9140	0.000	1	124.9140	0.000	1	125.2275	1.626	8	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:4:2:	3:3:	3:3:1:1:	C[5]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[5]C)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	125.7273	0.717	6	125.7273	0.515	6	125.2723	1.878	7	125.2275	1.626	8	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:4:2:	3:3:	3:3:1:1:	C[5]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	122.5420	0.000	1	122.5420	0.000	1	125.2723	1.878	7	125.2275	1.626	8	124.6481	10.281	51	124.6481	10.281	51
542	334	490	0:SP2_SP1_SP3	N[5]	C[5]	C	3:4:2:	3:3:	4:3:1:1:	C[5,6a]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[6,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	C[5](N[5]C[5,6a]C)2	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	124.6481	10.281	51	124.6481	10.281	51
542	334	542	5:SP2_SP1_SP2	N[5,6]	C[5]	N[5,6]	3:4:2:	3:3:	3:4:3:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	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)	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]){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){1|B<4>,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|I<1>,1|N<3>,2|F<1>}	109.0080	0.000	1	109.0080	0.000	1	108.6200	0.301	2	108.6200	0.301	2	108.6200	0.301	2	108.6623	0.156	3
542	334	542	5:SP2_SP1_SP2	N[5,6]	C[5]	N[5,6]	3:4:2:	3:3:	3:4:3:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	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)	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]){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){1|B<4>,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|I<1>,1|N<3>,2|H<1>}	108.2320	0.000	1	108.2320	0.000	1	108.6200	0.301	2	108.6200	0.301	2	108.6200	0.301	2	108.6623	0.156	3
542	334	542	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	3:2:1:	3:3:	3:3:1:	N[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	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)	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){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>}	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.6623	0.156	3
542	334	610	0:SP2_SP1_SP3	N[5]	C[5]	B	3:2:4:	3:3:	3:3:3:1:	N[5]-3:C[5]-2:B-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Os)(C[5]C[5])(BN[5]2H)	C[5](C[5]C[5]H)(N[5]N[5]B)	B(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Os)(C[5]C[5])(BN[5]2H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B){1|Os<6>,1|H<1>}	B(N[5]C[5]N[5])3(H)	132.5160	0.000	1	132.5160	0.000	1	131.5075	2.034	2	131.5075	2.034	2	130.0120	7.727	3	130.0120	7.727	3
542	334	610	0:SP2_SP1_SP3	N[5]	C[5]	B	3:2:4:	3:3:	3:3:3:1:	N[5]-3:C[5]-2:B-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]W)(C[5]C[5])(BN[5]2H)	C[5](C[5]C[5]H)(N[5]N[5]B)	B(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]W)(C[5]C[5])(BN[5]2H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B){1|H<1>,1|W<7>}	B(N[5]C[5]N[5])3(H)	130.4990	0.000	1	130.4990	0.000	1	131.5075	2.034	2	131.5075	2.034	2	130.0120	7.727	3	130.0120	7.727	3
542	334	610	0:SP2_SP1_SP3	N[5]	C[5]	B	3:2:4:	3:3:	3:3:3:3:	C[5]-3:C[5]-2:B-4:	C[5]-3:N[5]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	N[5](C[5]N[5]H)(C[5]C[5])(BN[5a]3)	C[5](C[5]N[5]H)(N[5]C[5]B)	B(N[5a]C[5a]2)3(N[5]C[5]2)	N[5](C[5]N[5]H)(C[5]C[5])(BN[5a]3){1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B){1|H<1>}	B(N[5a]C[5a]2)3(N[5]C[5]2)	127.0210	0.000	1	127.0210	0.000	1	127.0210	0.000	1	127.0210	0.000	1	130.0120	7.727	3	130.0120	7.727	3
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])	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[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5]){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	125.7145	0.049	2	125.7145	0.002	2	125.8508	0.668	4	126.1276	0.885	5	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]Br)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]Br){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	126.9690	0.000	1	126.9690	0.000	1	125.8508	0.668	4	126.1276	0.885	5	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]C)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	125.0050	0.000	1	125.0050	0.000	1	125.8508	0.668	4	126.1276	0.885	5	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	127.2350	0.000	1	127.2350	0.000	1	127.2350	0.000	1	126.1276	0.885	5	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]N[5])	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]){2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]){1|Ni<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	123.3790	0.130	2	123.3790	0.017	2	123.0577	0.159	8	123.0577	0.159	8	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	122.9507	0.404	6	122.9507	0.164	6	123.0577	0.159	8	123.0577	0.159	8	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[5,5]C[6a])2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]){2|C<4>,6|C<3>}	C[5](N[5]C[5,5]C[6a])2{6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	121.7870	0.206	2	121.7870	0.043	2	121.7870	0.043	2	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[5,6]C[6a])2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]){1|O<1>,2|C<4>,5|C<3>}	C[5](N[5]C[5,6]C[6a])2{6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	122.3535	0.448	2	122.3535	0.200	2	122.3535	0.200	2	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-2:	N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	122.6270	0.000	1	122.6270	0.000	1	122.6270	0.000	1	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5])	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.4805	1.653	2	123.4805	2.731	2	123.2197	1.569	3	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]N[5]C)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){3|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5]C){3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.6980	0.000	1	122.6980	0.000	1	123.2197	1.569	3	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H){1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|N<3>,2|C<3>,2|H<1>}	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5]){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3850	0.000	1	121.3850	0.000	1	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{2|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	122.8645	0.762	2	122.8645	0.580	2	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	123.5480	0.853	6	123.3777	0.809	7	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	122.3560	0.000	1	123.3777	0.809	7	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	123.9660	0.000	1	123.9660	0.000	1	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	122.7233	1.048	6	123.6727	2.993	26	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	124.1613	2.086	14	123.6727	2.993	26	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|P<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|H<1>,1|P<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	123.8735	1.340	2	123.6727	2.993	26	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|Si<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|Si<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	123.2173	0.867	3	123.6727	2.993	26	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	123.4940	0.000	1	123.6727	2.993	26	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|H<1>,1|P<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,2|H<1>}	122.7045	1.501	2	122.7045	2.254	2	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|Si<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	121.7960	0.771	3	121.7960	0.594	3	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]){2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	126.1160	0.000	1	126.1160	0.000	1	123.4216	2.539	43	123.2030	2.681	52	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	124.1848	0.514	6	124.1848	0.265	6	125.2307	1.583	12	125.2424	1.352	14	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	126.2765	0.770	6	126.2765	0.592	6	125.2307	1.583	12	125.2424	1.352	14	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.3125	0.392	2	125.3125	0.154	2	125.3125	0.154	2	125.2424	1.352	14	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	3:4:2:	4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	C[5,6]-4:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5]){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|H<1>,4|C<4>}	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	123.7150	2.930	83	123.7150	2.930	83
542	334	643	0:SP2_SP1_SP2	N[5]	C[5]	C[6a]	4:3:2:	3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[5,5]C[6a])2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]){1|H<1>,2|C<4>,6|C<3>}	C[5](N[5]C[5,5]C[6a])2{2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.5935	0.592	2	123.5935	0.350	2	123.5935	0.350	2	123.5935	0.350	2	123.7150	2.930	83	123.7150	2.930	83
542	334	727	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H)	C[5](N[5]C[5,6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	109.4490	0.127	2	109.4490	0.016	2	109.4490	0.016	2	109.4490	0.016	2	110.2500	3.461	6	110.2500	3.461	6
542	334	727	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	C[5](N[5]C[5,6a]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	112.7890	0.000	1	112.7890	0.000	1	110.7760	8.104	2	110.7760	8.104	2	110.2500	3.461	6	110.2500	3.461	6
542	334	727	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	C[5](N[5]C[5,6a]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	108.7630	0.000	1	108.7630	0.000	1	110.7760	8.104	2	110.7760	8.104	2	110.2500	3.461	6	110.2500	3.461	6
542	334	727	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6a]	3:4:2:	3:3:	3:3:3:	C[5,6a]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	C[5](N[5]C[5,6a]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	112.4220	0.000	1	112.4220	0.000	1	110.5250	7.197	2	110.5250	7.197	2	110.2500	3.461	6	110.2500	3.461	6
542	334	727	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6a]	3:4:2:	3:3:	3:3:3:	C[5,6a]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[5,6a]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	108.6280	0.000	1	108.6280	0.000	1	110.5250	7.197	2	110.5250	7.197	2	110.2500	3.461	6	110.2500	3.461	6
542	334	762	0:SP2_SP1_SP2	N[5]	C[5]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[5]-2:C[5]-2:	N[5]-3:N[5]-2:	N[5]-3:C[6]-2:C[6]-2:	N[5](C[6]C[6]2)(C[5]N[5])2	C[5](N[5]C[5]C[6])(N[5]N[5])	C[6](N[5]C[5]2)(C[6]C[6])2	N[5](C[6]C[6]2)(C[5]N[5])2{1|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]){1|Fe<6>,2|C<2>}	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,1|N<2>,1|N<3>}	126.3380	1.864	2	126.3380	3.474	2	126.3380	3.474	2	126.3380	3.474	2	127.4092	5.435	12	127.4092	5.435	12
542	334	762	0:SP2_SP1_SP2	N[5]	C[5]	C[6]	3:2:2:	3:3:	3:2:2:	C[6]-3:C[5]-2:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6]-2:C[6]-2:	N[5](C[6]C[6]2)(C[5]N[5])2	C[5](N[5]C[5]C[6])(N[5]N[5]Fe)	C[6](N[5]C[5]2)(C[6]C[6])2	N[5](C[6]C[6]2)(C[5]N[5])2{1|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]Fe){2|C<2>}	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,1|N<2>,1|N<3>}	126.7395	2.262	2	126.6022	1.681	8	126.6022	1.681	8	126.6022	1.681	8	127.4092	5.435	12	127.4092	5.435	12
542	334	762	0:SP2_SP1_SP2	N[5]	C[5]	C[6]	3:2:2:	3:3:	3:2:2:	C[6]-3:C[5]-2:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6]-2:C[6]-2:	N[5](C[6]C[6]2)(C[5]N[5])2	C[5](N[5]C[5]C[6])(N[5]N[5]Fe)	C[6](N[5]C[5]2)(C[6]C[6])2	N[5](C[6]C[6]2)(C[5]N[5])2{2|Fe<6>,2|C<2>}	C[5](N[5]C[5]C[6])(N[5]N[5]Fe){1|Fe<6>,2|C<2>}	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,2|N<3>}	126.5565	1.149	6	126.6022	1.681	8	126.6022	1.681	8	126.6022	1.681	8	127.4092	5.435	12	127.4092	5.435	12
542	334	762	0:SP2_SP1_SP2	N[5]	C[5]	C[6]	3:3:2:	3:2:	3:3:2:	N[5]-3:C[6]-3:C[5]-2:	N[5]-3:C[5]-2:	N[5]-3:C[6]-3:C[6]-2:	N[5](N[5]C[5]Ir)(C[6]C[6]2)(C[5]C[5])	C[5](N[5]C[6]N[5])(C[5]C[5])	C[6](N[5]C[5]N[5])(C[6]C[6]Ir)(C[6]C[6])	N[5](N[5]C[5]Ir)(C[6]C[6]2)(C[5]C[5]){2|C<2>}	C[5](N[5]C[6]N[5])(C[5]C[5]){1|Ir<6>,1|C<2>,1|C<3>}	C[6](N[5]C[5]N[5])(C[6]C[6]Ir)(C[6]C[6]){3|C<2>}	131.7080	0.293	2	131.7080	0.086	2	131.7080	0.086	2	131.7080	0.086	2	127.4092	5.435	12	127.4092	5.435	12
542	334	770	0:SP2_SP1_SP2	N[5]	C[5]	B	3:2:3:	3:3:	3:3:3:	N[5]-3:C[5]-2:B-3:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](N[5]C[5]Re)(C[5]C[5])(BN[5]2)	C[5](C[5]C[5]H)(N[5]N[5]B)	B(N[5]C[5]N[5])3	N[5](N[5]C[5]Re)(C[5]C[5])(BN[5]2){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B){1|Re<7>,1|H<1>}	B(N[5]C[5]N[5])3	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1
542	334	818	5:SP2_SP1_SP2	N[5,6]	C[5]	C[5,6]	3:2:2:	3:2:	3:2:2:	C[5,6]-3:C[5]-2:C[6]-2:	N[5,6]-3:C[5]-2:	N[5,6]-3:C[5]-2:N[6]-2:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6])	C[5](N[5,6]C[5,6]C[6])(C[5]C[5])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5])(N[6]C[6])	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6]){1|C<2>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]){1|C<2>,1|N<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5])(N[6]C[6]){1|C<2>}	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5,5]	3:3:2:	3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[5,5]C[6a])2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]){2|C<4>,6|C<3>}	C[5](N[5]C[5,5]C[6a])2{6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	112.0720	0.284	2	112.0720	0.081	2	112.0720	0.081	2	112.0720	0.081	2	112.0720	0.081	2	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6]	3:2:1:	3:3:	3:3:2:	C[5,6]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5])(H)	C[5](N[5]C[5,6]Ru)(N[5]C[5,6]H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5])(H){1|Ru<9>,2|C<3>}	C[5](N[5]C[5,6]Ru)(N[5]C[5,6]H){1|C<3>,1|N<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Ru<9>,1|H<1>,1|N<3>,1|S<2>}	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	111.5134	6.078	5	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6]	3:2:4:	3:3:	3:4:3:	C[5,6]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5,6]-3:P[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH)	C[5](N[5]C[5,6]C)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C[5](N[5]C[5,6]C)2{2|P<4>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	112.9430	0.204	2	112.9430	0.041	2	112.9430	0.041	2	112.9430	0.041	2	111.5134	6.078	5	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5,6]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[5,6]C[6a])2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]){1|O<1>,2|C<4>,5|C<3>}	C[5](N[5]C[5,6]C[6a])2{6|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	112.2610	0.324	2	112.2610	0.105	2	112.2610	0.105	2	112.2610	0.105	2	111.5134	6.078	5	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:2:	3:2:2:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-2:	N[5]-3:N[5]-2:N-2:	N[5](C[5]N[5]N)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])	C[5](N[5]C[5]H)(N[5]N[5])(NN)	N[5](C[5]N[5]N)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]){1|N<2>}	C[5](N[5]C[5]H)(N[5]N[5])(NN)	108.0135	0.001	2	108.0135	0.000	2	108.0135	0.000	2	108.0135	0.000	2	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:2:	3:3:1:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|C<3>}	C[5](N[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H){2|C<3>}	105.6720	0.000	1	105.6720	0.000	1	108.4485	15.418	2	108.4485	15.418	2	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:2:	3:3:1:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|H<1>}	C[5](N[5]C[5]H)(N[5]C[5]){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	111.2250	0.000	1	111.2250	0.000	1	108.4485	15.418	2	108.4485	15.418	2	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:3:	3:2:2:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:	N[5]-3:S[5]-2:N-2:	N[5](C[5]S[5]N)(C[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)	C[5](N[5]C[5]H)(S[5]C[5])(NS)	N[5](C[5]S[5]N)(C[5]C[5])(H){1|H<1>}	C[5](C[5]S[5]H)(N[5]C[5]H){1|N<2>}	C[5](N[5]C[5]H)(S[5]C[5])(NS){1|H<1>}	115.4880	0.000	1	115.4880	0.000	1	115.4880	0.000	1	115.4880	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:3:	3:2:3:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:	N[5]-3:S[5]-2:N-3:	N[5](C[5]S[5]N)(C[5]C[5])(H)	C[5](C[5]S[5]C)(N[5]C[5]H)	C[5](N[5]C[5]H)(S[5]C[5])(NCH)	N[5](C[5]S[5]N)(C[5]C[5])(H){1|C<4>}	C[5](C[5]S[5]C)(N[5]C[5]H){1|N<3>}	C[5](N[5]C[5]H)(S[5]C[5])(NCH){1|C<4>}	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:3:	3:3:1:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]Fe)(N[5]C[5]H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>}	108.2510	0.000	1	108.2510	0.000	1	107.3745	1.721	4	107.3745	1.721	4	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:1:	3:3:	3:3:1:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]H)2	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H){2|H<1>}	C[5](N[5]C[5]H)2{2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>}	107.0823	1.439	3	107.0823	2.069	3	107.3745	1.721	4	107.3745	1.721	4	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:2:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]C[5])(CC)	C[5](C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]C[5])(CC){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>}	112.6235	0.460	2	112.6235	0.212	2	112.6235	0.212	2	112.6235	0.212	2	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:3:	3:2:	3:2:1:	C[5]-3:C[5]-2:C-3:	N[5]-3:C[5]-2:	N[5]-3:O[5]-2:O-1:	N[5](C[5]O[5]O)(C[5]C[5])(CC[6]H)	C[5](N[5]C[5]C)(C[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]O[5]O)(C[5]C[5])(CC[6]H)	C[5](N[5]C[5]C)(C[5]O[5]){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O)	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:3:	3:3:	3:2:2:	C[5]-3:C[5]-2:C-3:	C[5]-3:N[5]-3:	N[5]-3:C[5]-2:O-2:	N[5](C[5]C[5]O)(C[5]C[5])(CCC)	C[5](C[5]C[5]C)(N[5]C[5]C)	C[5](N[5]C[5]C)(C[5]C[5])(OLi)	N[5](C[5]C[5]O)(C[5]C[5])(CCC){1|C<2>}	C[5](C[5]C[5]C)(N[5]C[5]C){1|O<2>}	C[5](N[5]C[5]C)(C[5]C[5])(OLi){1|C<2>}	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:3:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCN)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	111.9642	0.258	4	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:3:	3:3:	3:3:1:	C[5]-3:C[5]-2:P-3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(PCC)	C[5](N[5]C[5]P)2	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5])(PCC){1|H<1>,1|P<3>}	C[5](N[5]C[5]P)2{2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|P<3>}	111.9835	0.165	2	111.9835	0.027	2	111.7670	0.154	3	111.9642	0.258	4	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:3:	3:3:	3:3:1:	C[5]-3:C[5]-2:P-3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(PNN)	C[5](N[5]C[5]P)2	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5])(PNN){1|H<1>,1|P<3>}	C[5](N[5]C[5]P)2{2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|P<3>}	111.3340	0.000	1	111.3340	0.000	1	111.7670	0.154	3	111.9642	0.258	4	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:2:	3:2:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-2:	N[5]-3:C[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)(N[5]C[5])	C[5](N[5]C[5]C)(C[5]N[5])(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]){1|H<1>}	C[5](N[5]C[5]C)(C[5]N[5])(H)	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:2:	4:3:3:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-2:	C-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]C)(C[5]C[5])(CH3)	C[5](N[5]C[5]C)(C[5]N[5])	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]N[5]C)(C[5]C[5])(CH3){1|Cu<4>}	C[5](N[5]C[5]C)(C[5]N[5]){1|Cu<4>,1|C<4>}	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:2:1:	C[5]-3:C[5]-2:B-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(C[5]C[5])(BN[5a]3)	C[5](C[5]N[5]H)(N[5]C[5]B)	C[5](N[5]C[5]B)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]C[5])(BN[5a]3){1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B){1|H<1>}	C[5](N[5]C[5]B)(N[5]C[5])(H){1|H<1>}	105.2420	0.000	1	105.2420	0.000	1	105.2420	0.000	1	97.6842	114.239	2	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:2:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:C[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C[5](N[5]C[5]C)2	C[5](N[5]C[5]C)(C[5]N[5])(H)	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|C<2>}	C[5](N[5]C[5]C)2{1|H<1>}	C[5](N[5]C[5]C)(C[5]N[5])(H){1|C<2>}	90.1265	0.000	1	90.1265	0.000	1	90.1265	0.000	1	97.6842	114.239	2	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(C[5]C[5])(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)	C[5](N[5]C[5]C)2(H)	N[5](C[5]N[5]H)(C[5]C[5])(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2(H){1|H<1>}	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	111.8860	0.347	6	111.8860	0.121	6	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|Si<4>,1|C<4>}	C[5](N[5]C[5]C)2{1|Si<4>,1|H<1>}	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>}	111.9360	0.000	1	111.9360	0.000	1	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Rh<6>,1|C<4>}	C[5](N[5]C[5]C)2{1|Rh<6>,1|H<1>}	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H){1|C<4>}	108.4760	0.000	1	108.4760	0.000	1	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]Co)(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>}	107.7150	0.000	1	107.7150	0.000	1	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	113.3345	0.108	2	113.2796	0.101	5	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	113.2430	0.436	3	113.2796	0.101	5	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C[5](N[5]C[5]Mo)(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|Mo<7>,1|H<1>}	C[5](N[5]C[5]Mo)(N[5]C[5]C){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<7>}	107.4590	0.000	1	107.4590	0.000	1	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	113.0100	0.153	2	113.0100	0.023	2	111.7247	3.841	17	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5])(CC3){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2{2|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>}	112.7485	0.025	2	112.7485	0.001	2	112.7485	0.001	2	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:1:	C[5]-3:C[5]-2:P-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5])(PCCO){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|C<3>}	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	111.6529	3.964	21	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:2:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH)	C[5](N[5]C[5]C)(N[5]N[5]P)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH){1|P<3>,2|C<3>}	C[5](N[5]C[5]C)(N[5]N[5]P){1|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|P<3>,2|C<3>,2|H<1>}	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5])(CCCH)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CCCH){2|C<4>}	C[5](N[5]C[5]C)2{2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	111.3217	1.534	3	111.3217	2.353	3	112.0526	2.206	5	112.1833	1.867	6	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5])(CH3)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CH3){2|C<4>}	C[5](N[5]C[5]C)2{2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	113.3840	0.000	1	113.3840	0.000	1	112.0526	2.206	5	112.1833	1.867	6	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH){2|C<4>}	C[5](N[5]C[5]C)2{2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	112.9140	0.000	1	112.9140	0.000	1	112.0526	2.206	5	112.1833	1.867	6	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:2:4:	3:3:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:Si-4:	N[5](C[5]C[5]Si)(C[5]N[5])(CC3)	C[5](N[5]C[5]C)2	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN)	N[5](C[5]C[5]Si)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{1|Si<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN){1|C<4>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.1833	1.867	6	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:2:4:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:N[5]-2:C-4:	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]){2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){3|C<3>}	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:Br-1:	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{2|Br<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br){3|C<3>}	112.1565	0.203	2	112.1565	0.041	2	112.1565	0.041	2	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	113.0905	0.486	6	113.1356	0.211	7	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	113.4060	0.000	1	113.1356	0.211	7	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,2|C<3>}	112.9750	0.000	1	112.9750	0.000	1	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.2830	0.000	1	113.2830	0.000	1	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	113.3952	0.400	5	112.0931	3.678	18	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	111.5923	2.044	13	112.0931	3.678	18	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|P<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|H<1>,1|P<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){3|C<3>}	113.1180	0.008	2	113.1180	0.000	2	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|Si<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|Si<4>,1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){3|C<3>}	112.9273	0.444	3	112.9273	0.197	3	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>}	112.8475	0.083	2	112.8475	0.007	2	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<2>,2|C<3>}	112.8960	0.097	6	112.8960	0.009	6	112.5993	1.872	40	112.5782	1.790	42	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	108.5645	2.753	2	108.5645	7.578	2	109.2253	5.099	3	109.2253	5.099	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){3|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5]C){3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	110.5470	0.000	1	110.5470	0.000	1	109.2253	5.099	3	109.2253	5.099	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-2:	N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,6|C<3>}	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	113.8453	0.056	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:P-3:	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|H<1>,1|P<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2){3|C<3>}	113.6110	0.000	1	113.6110	0.000	1	113.8470	0.111	2	113.8453	0.056	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:P-3:	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|H<1>,1|P<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]C){3|C<3>}	114.0830	0.000	1	114.0830	0.000	1	113.8470	0.111	2	113.8453	0.056	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:Si-4:	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl2N)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|Si<4>,1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl2N){3|C<3>}	113.9310	0.000	1	113.9310	0.000	1	113.9383	0.204	3	113.9383	0.204	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:Si-4:	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2{1|Si<4>,1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl3){3|C<3>}	113.9420	0.639	2	113.9420	0.409	2	113.9383	0.204	3	113.9383	0.204	3	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:3:2:	3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:N[5]-3:	C[5]-4:N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5])	C[5](N[5]C[6a]C[5])2	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5]){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>,4|C<4>}	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:4:2:	3:3:	3:3:1:	C[5]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[5]C)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	112.2180	0.261	6	112.2180	0.068	6	112.4021	0.294	7	112.4021	0.294	7	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	3:4:2:	3:3:	3:3:1:	C[5]-3:C-4:C[5]-2:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	113.5070	0.000	1	113.5070	0.000	1	112.4021	0.294	7	112.4021	0.294	7	111.6009	9.014	111	111.6220	8.647	119
542	334	818	5:SP2_SP1_SP2	N[5]	C[5]	C[5]	4:3:2:	3:3:	3:3:1:	P-4:C[5]-3:C[5]-2:	C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](PN[5a]N[5]Fe)(C[5]C[5]H)(C[5]C[5])	C[5](C[5]C[5]H)(N[5]C[5]P)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)	N[5](PN[5a]N[5]Fe)(C[5]C[5]H)(C[5]C[5]){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]P){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]P)(H){1|H<1>}	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	111.6009	9.014	111	111.6220	8.647	119
542	334	874	0:SP2_SP1_SP3	N[5,6]	C[5]	B[6]	3:4:2:	3:3:	3:3:1:1:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:C[5]-3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	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)	B[6](N[5,6]N[5,6]C[5])2(F)2	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){1|B<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	130.4870	0.000	1	130.4870	0.000	1	130.4870	0.000	1	131.2945	1.304	2	131.2945	1.304	2	131.2945	1.304	2
542	334	874	0:SP2_SP1_SP3	N[5,6]	C[5]	B[6]	3:4:2:	3:3:	3:3:1:1:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	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)	B[6](N[5,6]N[5,6]C[5])2(H)2	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){1|B<4>,1|N<3>,3|H<1>}	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	132.1020	0.000	1	132.1020	0.000	1	132.1020	0.000	1	131.2945	1.304	2	131.2945	1.304	2	131.2945	1.304	2
542	334	899	0:SP2_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:2:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:C[5]-2:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)	124.7210	0.000	1	124.7210	0.000	1	124.7210	0.000	1	124.9095	0.071	2	124.9095	0.071	2	124.9095	0.071	2
542	334	899	0:SP2_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:2:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:N[5]-2:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(N[5]C[5])	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(N[5]C[5])	C(N[5]C[5]2)	125.0980	0.000	1	125.0980	0.000	1	125.0980	0.000	1	124.9095	0.071	2	124.9095	0.071	2	124.9095	0.071	2
542	334	899	0:SP3_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:2:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:C[5]-2:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)	124.5760	0.355	2	123.6335	13.726	4	123.6335	13.726	4	123.7523	8.962	6	125.7430	11.590	12	125.7430	11.590	12
542	334	899	0:SP3_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:2:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:C[5]-2:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C){1|C<2>}	C[5](N[5]C[5]C)(C[5]N[5]){1|C<2>}	C(N[5]C[5]2)	122.6910	6.124	2	123.6335	13.726	4	123.6335	13.726	4	123.7523	8.962	6	125.7430	11.590	12	125.7430	11.590	12
542	334	899	0:SP3_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:2:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:N[5]-2:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(N[5]C[5])	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)(N[5]C[5])	C(N[5]C[5]2)	123.9900	1.861	2	123.9900	3.464	2	123.9900	3.464	2	123.7523	8.962	6	125.7430	11.590	12	125.7430	11.590	12
542	334	899	0:SP3_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:3:	3:	C[5]-2:C[5]-2:C-1:	C[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](C[5]N[5]C)(N[5]C[5]C)	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C){1|Cu<5>,1|C<2>}	C[5](C[5]N[5]C)(N[5]C[5]C){1|Cu<5>}	C(N[5]C[5]2)	129.4610	0.204	2	129.4610	0.041	2	129.4610	0.041	2	127.7337	7.025	6	125.7430	11.590	12	125.7430	11.590	12
542	334	899	0:SP3_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:3:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C){1|C<2>}	C[5](N[5]C[5]C)2	C(N[5]C[5]2)	128.1870	4.240	2	128.1870	17.976	2	126.8700	8.711	4	127.7337	7.025	6	125.7430	11.590	12	125.7430	11.590	12
542	334	899	0:SP3_SP-NON_SP1	N[5]	C[5]	C	2:2:1:	3:3:	3:	C[5]-2:C[5]-2:C-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]C[5])(C[5]N[5])(C)	C[5](N[5]C[5]Cu)(N[5]C[5]C)	C(N[5]C[5]2)	N[5](C[5]C[5])(C[5]N[5])(C){1|Cu<5>,1|C<2>}	C[5](N[5]C[5]Cu)(N[5]C[5]C){1|C<2>}	C(N[5]C[5]2)	125.5530	1.105	2	125.5530	1.220	2	126.8700	8.711	4	127.7337	7.025	6	125.7430	11.590	12	125.7430	11.590	12
542	334	930	0:SP2_SP1_SP2	N[5]	C[5]	C	3:2:3:	3:2:	3:3:1:	C[5]-3:C[5]-2:C-3:	N[5]-3:C[5]-2:	C[6]-3:N[5]-3:H-1:	N[5](C[5]O[5]O)(C[5]C[5])(CC[6]H)	C[5](N[5]C[5]C)(C[5]O[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]O[5]O)(C[5]C[5])(CC[6]H)	C[5](N[5]C[5]C)(C[5]O[5]){1|O<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)	124.8230	0.000	1	124.8230	0.000	1	124.8230	0.000	1	124.8230	0.000	1	123.7573	0.854	3	123.7573	0.854	3
542	334	930	0:SP2_SP1_SP2	N[5]	C[5]	C	3:2:3:	3:3:	3:2:4:	C[5]-3:C[5]-2:C-3:	N[5]-3:N[5]-3:	N[5]-3:N-2:C-4:	N[5](C[5]C[5]H)(C[5]N[5])(CCN)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5]2)(NC[6a])(CC3)	N[5](C[5]C[5]H)(C[5]N[5])(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a])(CC3)	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	123.7573	0.854	3	123.7573	0.854	3
542	334	930	0:SP2_SP1_SP2	N[5]	C[5]	C	3:2:3:	3:3:	3:3:2:	C[5]-3:C[5]-2:C-3:	C[5]-3:N[5]-3:	N[5]-3:C-3:C-2:	N[5](C[5]C[5]O)(C[5]C[5])(CCC)	C[5](C[5]C[5]C)(N[5]C[5]C)	C(N[5]C[5]2)(CNO)(CC)	N[5](C[5]C[5]O)(C[5]C[5])(CCC){1|C<2>}	C[5](C[5]C[5]C)(N[5]C[5]C){1|O<2>}	C(N[5]C[5]2)(CNO)(CC)	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.7573	0.854	3	123.7573	0.854	3
542	334	941	0:SP2_SP1_SP2	N[5]	C[5]	N	2:2:2:	3:3:	3:3:	C[5]-2:N[5]-2:N-2:	C[5]-3:N[5]-3:	N[5]-3:N-3:	N[5](C[5]C[5])(N[5]N[5])(NN)	C[5](C[5]N[5]H)(N[5]N[5]N)	N(N[5]C[5]N[5])(NOO)	N[5](C[5]C[5])(N[5]N[5])(NN){1|H<1>,1|N<2>}	C[5](C[5]N[5]H)(N[5]N[5]N){1|N<2>}	N(N[5]C[5]N[5])(NOO)	133.3360	0.000	1	133.3360	0.000	1	133.3360	0.000	1	133.3360	0.000	1	133.3360	0.000	1	133.3360	0.000	1
542	334	945	0:SP2_SP1_SP3	N[5]	C[5]	P	2:2:3:	3:3:	3:4:4:	C[5]-2:N[5]-2:P-3:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:	N[5](C[5]N[5])(N[5]C[5])(PCC)	C[5](N[5]C[5]C)(N[5]N[5]P)	P(N[5]C[5]N[5])(CC3)2	N[5](C[5]N[5])(N[5]C[5])(PCC){1|C<3>,1|C<4>}	C[5](N[5]C[5]C)(N[5]N[5]P){1|C<3>}	P(N[5]C[5]N[5])(CC3)2	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	127.5032	19.190	4	127.5032	19.190	4
542	334	945	0:SP2_SP1_SP3	N[5]	C[5]	P	3:2:3:	3:3:	3:3:3:	C[5]-3:C[5]-2:P-3:	N[5]-3:N[5]-3:	N[5]-3:N-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5])(PNN)	C[5](N[5]C[5]P)2	P(N[5]C[5]2)(NCC)2	N[5](C[5]C[5]H)(C[5]N[5])(PNN){1|H<1>,1|P<3>}	C[5](N[5]C[5]P)2{2|H<1>}	P(N[5]C[5]2)(NCC)2	131.1940	0.000	1	131.1940	0.000	1	131.1940	0.000	1	131.1940	0.000	1	127.5032	19.190	4	127.5032	19.190	4
542	334	945	0:SP2_SP1_SP3	N[5]	C[5]	P	3:2:3:	3:3:	3:4:4:	C[5]-3:C[5]-2:P-3:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:	N[5](C[5]C[5]H)(C[5]N[5])(PCC)	C[5](N[5]C[5]P)2	P(N[5]C[5]2)(CC3)2	N[5](C[5]C[5]H)(C[5]N[5])(PCC){1|H<1>,1|P<3>}	C[5](N[5]C[5]P)2{2|H<1>}	P(N[5]C[5]2)(CC3)2	128.8355	0.098	2	128.8355	0.010	2	128.8355	0.010	2	128.8355	0.010	2	127.5032	19.190	4	127.5032	19.190	4
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:2:	3:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-2:	N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]C[5])	H(N[5]C[5]2)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|C<3>}	C[5](N[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	H(N[5]C[5]2)	128.7620	0.000	1	125.6025	19.965	2	126.3060	7.345	4	126.3060	7.345	4	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:2:	3:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-2:	N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]C[5])	H(N[5]C[5]2)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|H<1>}	C[5](N[5]C[5]H)(N[5]C[5]){2|H<1>}	H(N[5]C[5]2)	122.4430	0.000	1	125.6025	19.965	2	126.3060	7.345	4	126.3060	7.345	4	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:2:	3:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-2:	N[5]-3:	N[5](C[5]N[5]N)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]N[5])	H(N[5]C[5]2)	N[5](C[5]N[5]N)(C[5]N[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]){1|N<2>}	H(N[5]C[5]2)	127.0095	0.301	2	127.0095	0.090	2	126.3060	7.345	4	126.3060	7.345	4	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5])(H)	C[5](N[5]C[5,6]Ru)(N[5]C[5,6]H)	H(N[5]C[5,6]C[5])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5])(H){1|Ru<9>,2|C<3>}	C[5](N[5]C[5,6]Ru)(N[5]C[5,6]H){1|C<3>,1|N<2>}	H(N[5]C[5,6]C[5])	127.2730	0.000	1	127.2730	0.000	1	127.2730	0.000	1	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	C[5,6a]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H)	C[5](N[5]C[5,6a]H)2	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2{2|C<3>}	H(N[5]C[5,6a]C[5])	125.2785	0.032	2	125.2785	0.001	2	125.2785	0.001	2	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]S[5]N)(C[5]C[5])(H)	C[5](C[5]S[5]C)(N[5]C[5]H)	H(N[5]C[5]2)	N[5](C[5]S[5]N)(C[5]C[5])(H){1|C<4>}	C[5](C[5]S[5]C)(N[5]C[5]H){1|N<3>}	H(N[5]C[5]2)	123.2790	0.000	1	123.2790	0.000	1	125.6310	11.064	2	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]S[5]N)(C[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)	H(N[5]C[5]2)	N[5](C[5]S[5]N)(C[5]C[5])(H){1|H<1>}	C[5](C[5]S[5]H)(N[5]C[5]H){1|N<2>}	H(N[5]C[5]2)	127.9830	0.000	1	127.9830	0.000	1	125.6310	11.064	2	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]Fe)(N[5]C[5]H)	H(N[5]C[5]2)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(N[5]C[5]H){1|C<4>,1|H<1>}	H(N[5]C[5]2)	125.8480	0.000	1	125.8480	0.000	1	126.5995	0.274	4	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	C[5]-3:C[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]H)2	H(N[5]C[5]2)	N[5](C[5]C[5]H)(C[5]N[5])(H){2|H<1>}	C[5](N[5]C[5]H)2{2|H<1>}	H(N[5]C[5]2)	126.8500	0.186	3	126.8500	0.035	3	126.5995	0.274	4	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	951	0:SP2_SP-NON_SP1	N[5]	C[5]	H	3:2:1:	3:3:	3:	N[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:	N[5]-3:	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]N[5])	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){2|C<3>,2|H<1>}	H(N[5]C[5]N[5])	132.9840	0.000	1	132.9840	0.000	1	132.9840	0.000	1	126.8474	6.428	10	126.6927	6.210	14	126.6927	6.210	14
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	2:2:2:	3:2:	3:2:	C[5]-2:N[5]-2:C-2:	N[5]-3:N[5]-2:	N[5]-3:C[5]-2:	N[5](C[5]N[5])(N[5]C[5])(CC)	C[5](N[5]N[5]C)(N[5]C[5])	N[5](N[5]C[5]C)(C[5]N[5])	N[5](C[5]N[5])(N[5]C[5])(CC)	C[5](N[5]N[5]C)(N[5]C[5])	N[5](N[5]C[5]C)(C[5]N[5])	110.6610	0.485	2	110.6610	0.235	2	110.6610	0.235	2	110.6610	0.235	2	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	2:2:2:	3:3:	3:3:	C[5]-2:N[5]-2:N-2:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5])(N[5]N[5])(NN)	C[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5]N)2	N[5](C[5]C[5])(N[5]N[5])(NN){1|H<1>,1|N<2>}	C[5](C[5]N[5]H)(N[5]N[5]N){1|N<2>}	N[5](N[5]C[5]N)2{1|H<1>}	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	2:2:3:	3:3:	3:3:	C[5]-2:N[5]-2:P-3:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5])(N[5]C[5])(PCC)	C[5](N[5]C[5]C)(N[5]N[5]P)	N[5](C[5]C[6a]N[5])(N[5]C[5]P)	N[5](C[5]N[5])(N[5]C[5])(PCC){1|C<3>,1|C<4>}	C[5](N[5]C[5]C)(N[5]N[5]P){1|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]P){1|C<4>,2|C<3>}	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	2:2:4:	3:3:	3:2:	C[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5])(N[5]N[5])(CCHH)	C[5](C[5]N[5]C)(N[5]N[5]C)	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[5](C[5]N[5]C)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]C[5]){1|C<4>}	111.2120	0.000	1	111.2120	0.000	1	111.2120	0.000	1	109.8900	3.495	2	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	2:2:4:	3:3:	3:2:	C[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5])(N[5]N[5])(CH3)	C[5](N[5]N[5]Fe)(N[5]N[5]C)	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[5](N[5]N[5]Fe)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]N[5]){1|Fe<6>}	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	109.8900	3.495	2	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	2:2:4:	3:3:	3:3:	C[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5])(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)	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[5](N[5]C[6a]C[5])(N[5]N[5]C){3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){3|C<3>}	115.7940	0.000	1	115.7940	0.000	1	115.7940	0.000	1	115.7940	0.000	1	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	3:2:2:	3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[5]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5]){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	N[5](N[5]C[6a]C[5])(N[5]C[5]C){3|C<3>}	117.1955	0.192	2	117.1955	0.037	2	117.5138	0.163	4	117.2490	0.473	5	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	3:2:2:	3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[5]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]Br)	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]Br){3|C<3>}	N[5](N[5]C[6a]C[5])2{1|Br<1>,4|C<3>}	117.9860	0.000	1	117.9860	0.000	1	117.5138	0.163	4	117.2490	0.473	5	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	3:2:2:	3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:C[5]-3:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]C)	N[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C){3|C<3>}	N[5](N[5]C[6a]C[5])2{1|C<4>,4|C<3>}	117.6780	0.000	1	117.6780	0.000	1	117.5138	0.163	4	117.2490	0.473	5	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	3:2:2:	3:3:	3:3:	C[6a]-3:C[5]-2:N[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]N[5]C){3|C<3>}	116.1900	0.000	1	116.1900	0.000	1	116.1900	0.000	1	117.2490	0.473	5	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	4:2:2:	3:3:	3:2:	C[3]-4:C[5]-2:N[5]-2:	N[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5])	C[5](N[5]C[3]N[5])(N[5]N[5]Fe)	N[5](N[5]C[3]C[5])(N[5]N[5])	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5]){1|Fe<6>,3|H<1>}	C[5](N[5]C[3]N[5])(N[5]N[5]Fe){1|C<3>,1|C<4>,1|H<1>}	N[5](N[5]C[3]C[5])(N[5]N[5]){1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	113.6724	11.738	15	113.6724	11.738	15
542	334	960	5:SP2_SP1_SP2	N[5]	C[5]	N[5]	4:2:2:	3:3:	3:3:	C[3x6]-4:C[5]-2:N[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5])	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5])	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5])	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5]){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[3x6]N[5])(N[5]C[6a]C[5]){3|C<3>,3|C<4>}	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5]){3|C<3>,3|C<4>}	113.3965	3.163	2	113.3965	10.004	2	113.3965	10.004	2	113.3965	10.004	2	113.6724	11.738	15	113.6724	11.738	15
542	334	983	0:SP2_SP1_SP1	N[5]	C[5]	C	2:2:2:	3:2:	3:4:	C[5]-2:N[5]-2:C-2:	N[5]-3:N[5]-2:	N[5]-3:C-4:	N[5](C[5]N[5])(N[5]C[5])(CC)	C[5](N[5]N[5]C)(N[5]C[5])	C(N[5]C[5]N[5])(CC[6]CO)	N[5](C[5]N[5])(N[5]C[5])(CC)	C[5](N[5]N[5]C)(N[5]C[5])	C(N[5]C[5]N[5])(CC[6]CO)	123.3730	1.498	2	123.3730	2.243	2	123.3730	2.243	2	123.3730	2.243	2	123.5630	0.879	4	123.5630	0.879	4
542	334	983	0:SP2_SP1_SP1	N[5]	C[5]	C	3:2:2:	3:3:	3:2:	C[5]-3:C[5]-2:C-2:	C[5]-3:N[5]-3:	N[5]-3:C-2:	N[5](C[5]C[5]O)(C[5]C[5])(CC)	C[5](C[5]C[5]O)(N[5]C[5]C)	C(N[5]C[5]2)(CO)	N[5](C[5]C[5]O)(C[5]C[5])(CC){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|O<1>}	C(N[5]C[5]2)(CO)	123.7530	0.499	2	123.7530	0.249	2	123.7530	0.249	2	123.7530	0.249	2	123.5630	0.879	4	123.5630	0.879	4
542	334	983	0:SP3_SP1_SP1	N[5]	C[5]	C	2:2:2:	3:2:	3:1:	C[5]-2:C[5]-2:C-2:	N[5]-3:C[5]-2:	N[5]-3:C-1:	N[5](C[5]C[5])(C[5]N[5])(CC)	C[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]2)(C)	N[5](C[5]C[5])(C[5]N[5])(CC){1|C<1>}	C[5](N[5]C[5]C)(C[5]N[5]){1|C<1>}	C(N[5]C[5]2)(C)	126.5600	5.279	2	126.5600	27.871	2	126.5600	27.871	2	126.5600	27.871	2	127.2475	109.658	6	127.2475	109.658	6
542	334	983	0:SP3_SP1_SP1	N[5]	C[5]	C	2:2:2:	3:3:	3:1:	C[5]-2:C[5]-2:C-2:	C[5]-3:N[5]-3:	N[5]-3:C-1:	N[5](C[5]C[5])(C[5]N[5])(CC)	C[5](C[5]N[5]H)(N[5]C[5]C)	C(N[5]C[5]2)(C)	N[5](C[5]C[5])(C[5]N[5])(CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C){1|C<4>}	C(N[5]C[5]2)(C)	146.4020	0.000	1	146.4020	0.000	1	146.4020	0.000	1	127.5913	173.001	4	127.2475	109.658	6	127.2475	109.658	6
542	334	983	0:SP3_SP1_SP1	N[5]	C[5]	C	2:2:2:	3:3:	3:1:	C[5]-2:C[5]-2:C-2:	N[5]-3:N[5]-3:	N[5]-3:C-1:	N[5](C[5]C[5])(C[5]N[5])(CC)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(C)	N[5](C[5]C[5])(C[5]N[5])(CC){1|C<1>}	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(C)	124.0355	1.732	2	121.3210	23.605	3	121.3210	23.605	3	127.5913	173.001	4	127.2475	109.658	6	127.2475	109.658	6
542	334	983	0:SP3_SP1_SP1	N[5]	C[5]	C	2:2:2:	3:3:	3:1:	C[5]-2:C[5]-2:C-2:	N[5]-3:N[5]-3:	N[5]-3:C-1:	N[5](C[5]C[5])(C[5]N[5])(CC)	C[5](N[5]C[5]C)2	C(N[5]C[5]2)(C)	N[5](C[5]C[5])(C[5]N[5])(CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2{1|H<1>}	C(N[5]C[5]2)(C)	115.8920	0.000	1	121.3210	23.605	3	121.3210	23.605	3	127.5913	173.001	4	127.2475	109.658	6	127.2475	109.658	6
542	334	992	0:SP2_SP1_SP3	N[5]	C[5]	P	3:2:4:	3:3:	3:4:4:2:	C[5]-3:C[5]-2:P-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:O-2:	N[5](C[5]C[5]H)(C[5]N[5])(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	P(N[5]C[5]2)(CC3)2(OAl)	N[5](C[5]C[5]H)(C[5]N[5])(PCCO){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,2|H<1>}	P(N[5]C[5]2)(CC3)2(OAl)	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.4510	0.565	3	121.4510	0.565	3
542	334	992	0:SP2_SP1_SP3	N[5]	C[5]	P	4:2:4:	3:3:	3:4:4:2:	C[5]-4:C[5]-2:P-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:O-2:	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	P(N[5]C[5]2)(CC3)2(OAl)	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,4|H<1>}	P(N[5]C[5]2)(CC3)2(OAl)	120.8630	0.000	1	120.8630	0.000	1	121.5805	1.030	2	121.5805	1.030	2	121.4510	0.565	3	121.4510	0.565	3
542	334	992	0:SP2_SP1_SP3	N[5]	C[5]	P	4:2:4:	3:3:	3:4:4:2:	C[5]-4:C[5]-2:P-4:	N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:O-2:	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)	P(N[5]C[5]2)(CC3)2(OB)	N[5](C[5]C[5]HH)(C[5]N[5])(PCCO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P){2|C<3>,4|H<1>}	P(N[5]C[5]2)(CC3)2(OB)	122.2980	0.000	1	122.2980	0.000	1	121.5805	1.030	2	121.5805	1.030	2	121.4510	0.565	3	121.4510	0.565	3
542	338	542	0:SP2_SP2_SPD5	N[5]	Ga[6,6]	N[5]	5:3:3:	3:2:2:4:3:	3:3:4:	Ga[6,6]-5:C[5]-3:N[5]-3:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	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)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	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){2|H<1>,3|C<3>,4|C<4>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	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>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.1960	0.004	2	120.1960	0.004	2
542	338	542	0:SP2_SP2_SPD5	N[5]	Ga[6,6]	N[5]	5:3:3:	3:2:2:4:4:	3:3:4:	Ga[6,6]-5:C[5]-3:N[5]-3:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-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)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2	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){2|C<3>,3|H<1>,5|C<4>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2{2|C<4>,4|H<1>,6|C<3>}	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>}	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	120.1960	0.004	2	120.1960	0.004	2
542	338	818	0:SP2_SP2_SPD5	N[5]	Ga[6,6]	C[5]	5:3:3:	3:2:2:4:3:	3:3:4:	Ga[6,6]-5:C[5]-3:N[5]-3:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	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)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	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>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	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>}	132.7260	0.000	1	132.7260	0.000	1	132.7260	0.000	1	132.7260	0.000	1	131.2400	4.416	2	131.2400	4.416	2
542	338	818	0:SP2_SP2_SPD5	N[5]	Ga[6,6]	C[5]	5:3:3:	3:2:2:4:4:	3:3:4:	Ga[6,6]-5:C[5]-3:N[5]-3:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-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)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2	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>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2{2|C<4>,4|H<1>,6|C<3>}	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){2|C<4>,2|N<4>,2|O<2>}	129.7540	0.000	1	129.7540	0.000	1	129.7540	0.000	1	129.7540	0.000	1	131.2400	4.416	2	131.2400	4.416	2
542	362	490	0:SP2_SP3_SPD6	N[5]	C[5x3,6x5,20x6]	C	6:3:4:	6:6:6:6:6:3:	3:1:1:1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5]C)	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5]C){1|B<6>,1|C<4>,6|H<1>}	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1
542	362	643	0:SP2_SP2_SPD6	N[5]	C[5x3,6x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5,6a]C[6a])	C[6a](N[5]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)2	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){4|C<3>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5,6a]C[6a]){1|B<6>,4|C<3>,5|H<1>}	C[6a](N[5]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)2{1|C<6>,2|H<1>,3|C<3>,4|B<6>}	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1
542	362	727	5:SP2_SP2_SPD6	N[5]	C[5x3,6x5,20x6]	C[5,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){4|C<3>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5,6a]C[6a]){1|B<6>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1
542	362	818	5:SP2_SP2_SPD6	N[5]	C[5x3,6x5,20x6]	C[5]	6:3:4:	6:6:6:6:6:3:	3:3:1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5]C)	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H)	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(N[5]C[5]C){1|B<6>,1|C<4>,6|H<1>}	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H){6|B<6>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1
542	390	727	0:SP2_SP-NON_SP2	N[5]	Ge	C[5,6a]	3:3:1:	3:	3:3:3:	C[5,6a]-3:C[5]-3:Ge-1:	N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge)	Ge(N[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge){1|C<4>,1|H<1>,2|C<3>}	Ge(N[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	136.0700	0.000	1	136.0700	0.000	1	136.0700	0.000	1	136.0700	0.000	1	136.0700	0.000	1	136.0700	0.000	1
542	390	818	0:SP2_SP-NON_SP2	N[5]	Ge	C[5]	3:3:1:	3:	3:3:4:	C[5,6a]-3:C[5]-3:Ge-1:	N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge)	Ge(N[5]C[5,6a]C[5])	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge){1|C<4>,1|H<1>,2|C<3>}	Ge(N[5]C[5,6a]C[5])	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1
542	394	474	5:SP2_SP3_SPD5	N[5]	P[3x5]	C[5]	5:4:4:	4:3:3:3:1:	4:3:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	119.8387	1.152	3
542	394	474	5:SP2_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:1:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	119.0090	0.000	1	119.0090	0.000	1	119.2325	0.100	2	119.2325	0.100	2	119.2325	0.100	2	119.8387	1.152	3
542	394	474	5:SP2_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:1:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|N<3>,1|O<2>}	119.4560	0.000	1	119.4560	0.000	1	119.2325	0.100	2	119.2325	0.100	2	119.2325	0.100	2	119.8387	1.152	3
542	394	474	5:SP3_SP3_SPD5	N[5,5]	P[5,5]	C[5]	5:4:4:	3:3:3:2:2:	3:3:1:1:	P[5,5]-5:C[5]-4:C[5]-4:	C[6a]-3:N[5,5]-3:P-3:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](P[5,5]C[6a]O[5]2P)(C[5]C[5]HH)2	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2	N[5,5](P[5,5]C[6a]O[5]2P)(C[5]C[5]HH)2{2|C<3>,2|O<1>}	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2{1|O<2>,1|P<3>,2|C<3>,2|H<1>}	118.7312	0.757	6	118.7312	0.573	6	118.7312	0.573	6	118.7312	0.573	6	118.7312	0.573	6	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[3x5]	C[5]	5:4:4:	4:3:3:3:1:	4:3:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	120.0497	0.508	3	120.0497	0.258	3	119.9166	0.197	5	119.9166	0.197	5	119.6239	0.740	10	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[3x5]	C[5]	5:4:4:	4:3:3:3:1:	4:3:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	119.7170	0.372	2	119.7170	0.138	2	119.9166	0.197	5	119.9166	0.197	5	119.6239	0.740	10	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[3x5]	C[5]	5:4:4:	4:3:3:3:2:	4:3:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:N-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN){12|H<1>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|N<2>,2|C<4>,2|N<3>}	119.3312	1.119	5	119.3312	1.253	5	119.3312	1.253	5	119.3312	1.253	5	119.6239	0.740	10	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:2:2:2:1:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-2:O[5]-2:O[5]-2:Cl-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<2>,1|O<2>}	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	118.6379	0.477	16	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:1:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Cl-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(Cl)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	118.3972	1.029	6	118.3972	1.059	6	118.3972	1.059	6	118.5672	0.615	11	118.6379	0.477	16	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:1:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>}	118.8030	0.564	2	118.8030	0.318	2	118.7712	0.120	5	118.5672	0.615	11	118.6379	0.477	16	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:1:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	118.7500	0.280	3	118.7500	0.079	3	118.7712	0.120	5	118.5672	0.615	11	118.6379	0.477	16	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:2:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:O-2:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|N<3>,2|O<2>}	118.6345	0.135	2	118.6345	0.018	2	118.9365	0.137	4	118.9365	0.137	4	118.6379	0.477	16	118.9635	0.744	32
542	394	474	5:SP3_SP3_SPD5	N[5]	P[5,5]	C[5]	5:4:1:	3:3:2:2:2:	3:3:4:1:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:O-2:	N[5]-3:C[5]-3:C-4:H-1:	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC){2|C<4>,2|H<1>,2|O<1>}	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|N<3>,2|O<2>}	119.2385	0.170	2	119.2385	0.029	2	118.9365	0.137	4	118.9365	0.137	4	118.6379	0.477	16	118.9635	0.744	32
542	394	490	0:SP2_SP3_SPD5	N[5]	P[3x5]	C	5:4:4:	4:3:3:3:1:	3:4:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C(N[5]P[3x5]C[5])(CCCH)(H)2	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	124.0179	0.498	15
542	394	490	0:SP2_SP3_SPD5	N[5]	P[5,5]	C	3:5:4:	3:3:3:2:1:	3:1:1:1:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:N-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H){4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	124.4855	0.220	2	124.4855	0.048	2	124.4855	0.048	2	123.6928	0.347	8	124.0220	0.536	14	124.0179	0.498	15
542	394	490	0:SP2_SP3_SPD5	N[5]	P[5,5]	C	3:5:4:	3:3:3:2:1:	3:1:1:1:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H){4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	123.4748	0.470	4	123.4748	0.221	4	123.4285	0.141	6	123.6928	0.347	8	124.0220	0.536	14	124.0179	0.498	15
542	394	490	0:SP2_SP3_SPD5	N[5]	P[5,5]	C	3:5:4:	3:3:3:2:1:	3:1:1:1:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H){4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	123.3360	0.130	2	123.3360	0.017	2	123.4285	0.141	6	123.6928	0.347	8	124.0220	0.536	14	124.0179	0.498	15
542	394	490	0:SP2_SP3_SPD5	N[5]	P[5,5]	C	3:5:4:	3:3:3:3:1:	3:1:1:1:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:N-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H){4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	124.1218	0.595	4	124.1218	0.354	4	124.1218	0.354	4	124.1218	0.354	4	124.0220	0.536	14	124.0179	0.498	15
542	394	490	0:SP2_SP3_SPD5	N[5]	P[5,5]	C	5:3:4:	3:3:3:1:1:	3:1:1:1:	P[5,5]-5:C[5,6a]-3:C-4:	N[5,5]-3:N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Cl)2	C(N[5]C[5,6a]P[5,5])(H)3	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Cl)2{4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	125.1395	0.282	2	125.1395	0.080	2	125.1395	0.080	2	125.1395	0.080	2	124.0220	0.536	14	124.0179	0.498	15
542	394	490	0:SP3_SP3_SPD5	N[5]	P[3x5]	C	5:4:4:	4:3:3:3:1:	3:4:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C(N[5]P[3x5]C[5])(CCCH)(H)2	120.3795	1.155	2	120.3795	1.333	2	120.3795	1.333	2	120.3795	1.333	2	123.4900	8.259	11	123.4900	8.259	11
542	394	490	0:SP3_SP3_SPD5	N[5]	P[3x5]	C	5:4:4:	4:3:3:3:1:	3:4:4:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C(N[5]P[3x5]C[5])(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C(N[5]P[3x5]C[5])(CH3)2(H)	121.6777	1.294	3	121.6777	1.675	3	121.6777	1.675	3	121.6777	1.675	3	123.4900	8.259	11	123.4900	8.259	11
542	394	490	0:SP3_SP3_SPD5	N[5]	P[3x5]	C	5:4:4:	4:3:3:3:2:	3:1:1:1:	P[3x5]-5:C[5]-4:C-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:N-2:	N[5]-3:H-1:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3)	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN)	C(N[5]P[3x5]C[5])(H)3	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3){2|H<1>,6|C<4>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN){12|H<1>}	C(N[5]P[3x5]C[5])(H)3	125.4330	2.283	6	125.4330	5.210	6	125.4330	5.210	6	125.4330	5.210	6	123.4900	8.259	11	123.4900	8.259	11
542	394	727	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5,6a]	3:3:5:	3:3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Cl)2	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2){2|C<4>,2|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Cl)2{4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.7875	0.306	2	115.7875	0.094	2	115.7875	0.094	2	115.7875	0.094	2	114.0199	1.344	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5,6a]	3:3:5:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:N[5]-3:N[5]-3:N-2:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN){2|C<4>,2|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H){4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	112.8010	0.955	2	112.8010	0.911	2	112.8010	0.911	2	114.1141	0.845	8	114.0199	1.344	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5,6a]	3:3:5:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO){2|C<4>,2|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H){4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	114.5113	0.300	4	114.5113	0.090	4	114.5518	0.082	6	114.1141	0.845	8	114.0199	1.344	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5,6a]	3:3:5:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO){2|C<4>,2|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H){4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	114.6330	0.344	2	114.6330	0.118	2	114.5518	0.082	6	114.1141	0.845	8	114.0199	1.344	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5,6a]	3:3:5:	3:3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	N[5,5]-3:N[5]-3:N[5]-3:N-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN){2|C<4>,2|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H){4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	112.9475	0.422	4	112.9475	0.178	4	112.9475	0.178	4	112.9475	0.178	4	114.0199	1.344	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5]	P[5,5]	C[5,6a]	3:5:4:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])(H){4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	115.4815	0.968	2	115.4815	0.937	2	115.4815	0.937	2	115.9543	0.290	8	115.7054	0.447	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5]	P[5,5]	C[5,6a]	3:5:4:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H){4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.0245	0.348	4	116.0245	0.121	4	116.1118	0.100	6	115.9543	0.290	8	115.7054	0.447	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5]	P[5,5]	C[5,6a]	3:5:4:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H){4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.2865	0.206	2	116.2865	0.042	2	116.1118	0.100	6	115.9543	0.290	8	115.7054	0.447	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5]	P[5,5]	C[5,6a]	3:5:4:	3:3:3:3:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H){4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	115.5790	0.837	4	115.5790	0.700	4	115.5790	0.700	4	115.5790	0.700	4	115.7054	0.447	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5]	P[5,5]	C[5,6a]	5:3:4:	3:3:3:1:1:	3:3:3:	P[5,5]-5:C[5,6a]-3:C-4:	N[5,5]-3:N[5]-3:N[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Cl)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(Cl)2{4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	114.9630	0.130	2	114.9630	0.017	2	114.9630	0.017	2	114.9630	0.017	2	115.7054	0.447	14	114.8709	1.544	29
542	394	727	5:SP2_SP2_SPD5	N[5]	P[5]	C[5,6a]	3:5:3:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:P[5]-5:P-3:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2)	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2){1|H<1>,6|C<3>}	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	114.8709	1.544	29
542	394	818	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5]	5:3:3:	3:2:2:1:1:	3:3:1:	P[5,5]-5:C[5]-3:C[5]-3:	N[5,5]-3:O[5]-2:O[5]-2:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:	N[5,5](P[5,5]O[5]2HH)(C[5]C[5]H)2	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(H)2	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[5,5]O[5]2HH)(C[5]C[5]H)2{2|C<4>}	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(H)2{2|C<4>,2|H<1>}	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	113.7785	0.368	2	113.7785	0.136	2	113.7785	0.136	2	113.7785	0.136	2	113.9335	0.137	4	113.9335	0.137	4
542	394	818	5:SP2_SP2_SPD5	N[5,5]	P[5,5]	C[5]	5:3:3:	3:2:2:3:1:	3:3:1:	P[5,5]-5:C[5]-3:C[5]-3:	N[5,5]-3:O[5]-2:O[5]-2:N-3:H-1:	N[5,5]-3:C[5]-3:H-1:	N[5,5](P[5,5]O[5]2HN)(C[5]C[5]H)2	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H)	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[5,5]O[5]2HN)(C[5]C[5]H)2{2|C<4>}	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H){2|C<4>,2|H<1>}	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	114.0885	0.422	2	114.0885	0.178	2	114.0885	0.178	2	114.0885	0.178	2	113.9335	0.137	4	113.9335	0.137	4
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:2:2:2:1:	3:2:1:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:Cl-1:	N[5]-3:O-2:O-1:	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	128.3090	0.000	1	128.3090	0.000	1	128.3090	0.000	1	128.3090	0.000	1	128.0081	12.165	10	128.0081	12.165	10
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:2:2:2:2:	3:2:1:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	N[5]-3:O-2:O-1:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	125.7470	0.000	1	125.7470	0.000	1	125.5890	0.050	2	125.5890	0.050	2	128.0081	12.165	10	128.0081	12.165	10
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:2:2:2:2:	3:2:1:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	N[5]-3:O-2:O-1:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	125.4310	0.000	1	125.4310	0.000	1	125.5890	0.050	2	125.5890	0.050	2	128.0081	12.165	10	128.0081	12.165	10
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:2:2:2:3:	3:2:1:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:N-3:	N[5]-3:O-2:O-1:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	124.4950	1.735	2	124.4950	3.011	2	124.4950	3.011	2	124.4950	3.011	2	128.0081	12.165	10	128.0081	12.165	10
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:3:2:2:2:	3:2:1:	P[5]-5:N[5]-2:C-3:	C[6a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5]-3:O-2:O-1:	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|O<2>,2|C<3>,2|H<1>}	C(N[5]N[5]P[5])(OC)(O)	128.6565	2.654	2	128.6565	7.043	2	128.6565	7.043	2	130.3208	10.801	5	128.0081	12.165	10	128.0081	12.165	10
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:3:2:2:2:	3:2:1:	P[5]-5:N[5]-2:C-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5]-3:O-2:O-1:	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(N[5]N[5]P[5])(OC)(O)	131.6335	5.165	2	131.6335	26.682	2	131.4303	13.465	3	130.3208	10.801	5	128.0081	12.165	10	128.0081	12.165	10
542	394	930	0:SP2_SP2_SPD5	N[5]	P[5]	C	5:2:3:	3:3:2:2:2:	3:2:1:	P[5]-5:N[5]-2:C-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5]-3:O-2:O-1:	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|C<3>,1|N<2>,1|O<2>}	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|H<1>,1|O<2>,2|C<3>}	C(N[5]N[5]P[5])(OC)(O)	131.0240	0.000	1	131.0240	0.000	1	131.4303	13.465	3	130.3208	10.801	5	128.0081	12.165	10	128.0081	12.165	10
542	394	945	0:SP2_SP3_SPD5	N[5]	P[5]	P	3:5:3:	3:3:3:2:1:	3:3:3:	C[5,6a]-3:P[5]-5:P-3:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2)	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H)	P(N[5]C[5,6a]P[5])(C[6a]C[6a]2)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2){1|H<1>,6|C<3>}	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H){4|H<1>,6|C<3>}	P(N[5]C[5,6a]P[5])(C[6a]C[6a]2)2	119.4050	0.000	1	119.4050	0.000	1	119.4050	0.000	1	119.4050	0.000	1	119.4050	0.000	1	119.4050	0.000	1
542	394	951	0:SP2_SP-NON_SPD5	N[5]	P[5,5]	H	5:4:1:	3:3:2:2:1:	3:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	H(N[5]P[5,5]C[5])	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	H(N[5]P[5,5]C[5])	120.4610	0.127	2	120.4610	0.016	2	120.4610	0.016	2	120.4610	0.016	2	120.4610	0.016	2	120.4610	0.016	2
542	394	951	0:SP3_SP-NON_SPD5	N[5]	P[5,5]	H	5:4:1:	3:2:2:2:1:	3:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-2:O[5]-2:O[5]-2:Cl-1:	N[5]-3:	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl)	H(N[5]P[5,5]C[5])	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	H(N[5]P[5,5]C[5])	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	119.6919	3.971	16	119.6919	3.971	16
542	394	951	0:SP3_SP-NON_SPD5	N[5]	P[5,5]	H	5:4:1:	3:3:2:2:1:	3:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Cl-1:	N[5]-3:	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(Cl)	H(N[5]P[5,5]C[5])	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	H(N[5]P[5,5]C[5])	118.3437	2.836	6	118.3437	8.044	6	118.3437	8.044	6	119.3713	5.436	11	119.6919	3.971	16	119.6919	3.971	16
542	394	951	0:SP3_SP-NON_SPD5	N[5]	P[5,5]	H	5:4:1:	3:3:2:2:1:	3:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	H(N[5]P[5,5]C[5])	N[5](P[5,5]N[5]O[5]2H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	H(N[5]P[5,5]C[5])	120.6044	0.225	5	120.6044	0.051	5	120.6044	0.051	5	119.3713	5.436	11	119.6919	3.971	16	119.6919	3.971	16
542	394	951	0:SP3_SP-NON_SPD5	N[5]	P[5,5]	H	5:4:1:	3:3:2:2:2:	3:	P[5,5]-5:C[5]-4:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:O-2:	N[5]-3:	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC)	H(N[5]P[5,5]C[5])	N[5](P[5,5]N[5]O[5]2O)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC){2|C<4>,2|H<1>,2|O<1>}	H(N[5]P[5,5]C[5])	120.2763	0.655	4	120.2763	0.429	4	120.2763	0.429	4	120.2763	0.429	4	119.6919	3.971	16	119.6919	3.971	16
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:2:2:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:Cl-1:	C[5]-3:N[5]-3:	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl){1|O<2>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|Cl<1>,2|O<2>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	114.4832	4.744	10	114.4832	4.744	10
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:2:2:2:2:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	C[5]-3:N[5]-3:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC){1|O<2>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<2>,2|O<2>}	116.0560	0.000	1	116.0560	0.000	1	115.9635	0.017	2	115.9635	0.017	2	114.4832	4.744	10	114.4832	4.744	10
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:2:2:2:2:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	C[5]-3:N[5]-3:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN){1|O<2>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<2>,2|O<2>}	115.8710	0.000	1	115.8710	0.000	1	115.9635	0.017	2	115.9635	0.017	2	114.4832	4.744	10	114.4832	4.744	10
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:2:2:2:3:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O[5]-2:O-2:O-2:N-3:	C[5]-3:N[5]-3:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	113.1980	0.079	2	113.1980	0.006	2	113.1980	0.006	2	113.1980	0.006	2	114.4832	4.744	10	114.4832	4.744	10
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:3:2:2:2:	3:3:	P[5]-5:N[5]-2:C-3:	C[6a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[5]-3:N[5]-3:	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|C<3>,2|O<2>}	116.1750	2.635	2	116.1750	6.942	2	116.1750	6.942	2	114.8902	7.068	5	114.4832	4.744	10	114.4832	4.744	10
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:3:2:2:2:	3:3:	P[5]-5:N[5]-2:C-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[5]-3:N[5]-3:	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	112.5335	1.525	2	112.5335	2.326	2	114.0337	7.915	3	114.8902	7.068	5	114.4832	4.744	10	114.4832	4.744	10
542	394	960	5:SP2_SP2_SPD5	N[5]	P[5]	N[5]	5:2:3:	3:3:2:2:2:	3:3:	P[5]-5:N[5]-2:C-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[5]-3:N[5]-3:	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|C<3>,1|N<2>,1|O<2>}	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	117.0340	0.000	1	117.0340	0.000	1	114.0337	7.915	3	114.8902	7.068	5	114.4832	4.744	10	114.4832	4.744	10
542	402	727	5:SP2_SP2_SPD6	N[5,6]	Ge[3x5]	C[5,6,6a]	3:6:3:	3:3:2:2:4:2:	3:3:3:	C[5,6,6a]-3:Ge[3x5]-6:C[6]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H)	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	109.8310	0.023	2	109.8310	0.001	2	109.8310	0.001	2	109.8310	0.001	2	109.8310	0.001	2	109.8310	0.001	2
542	402	762	0:SP2_SP2_SPD6	N[5,6]	Ge[3x5]	C[6]	3:6:3:	3:3:2:2:4:2:	3:3:1:	C[5,6,6a]-3:Ge[3x5]-6:C[6]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H)	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	C[6](N[5,6]C[5,6,6a]Ge[3x5])(C[6]C[6]H)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	C[6](N[5,6]C[5,6,6a]Ge[3x5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	130.1345	0.936	2	130.1345	0.875	2	130.1345	0.875	2	130.1345	0.875	2	130.1345	0.875	2	130.1345	0.875	2
542	410	727	0:SP2_SP1_SP2	N[5]	As	C[5,6a]	3:3:1:	3:	3:3:3:	C[5,6a]-3:C[5]-3:As-1:	N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As)	As(N[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As){1|C<4>,1|H<1>,2|C<3>}	As(N[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	135.7465	0.260	2	135.7465	0.067	2	135.7465	0.067	2	135.7465	0.067	2	135.7465	0.067	2	135.7465	0.067	2
542	410	818	0:SP2_SP1_SP2	N[5]	As	C[5]	3:3:1:	3:	3:3:4:	C[5,6a]-3:C[5]-3:As-1:	N[5]-3:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As)	As(N[5]C[5,6a]C[5])	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As){1|C<4>,1|H<1>,2|C<3>}	As(N[5]C[5,6a]C[5])	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN){2|C<3>}	116.6950	0.707	2	116.6950	0.500	2	116.6950	0.500	2	116.6950	0.500	2	116.6950	0.500	2	116.6950	0.500	2
542	422	643	0:SP2_SP2_SP3	N[5]	Se[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2{2|H<1>,2|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	117.3540	1.765	2	117.3540	3.115	2	117.3540	3.115	2	117.3540	3.115	2	118.1730	3.570	3	118.1730	3.570	3
542	422	643	0:SP2_SP2_SP3	N[5]	Se[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	Se[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:N[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[6a](N[5]Se[5,5]C[5])(C[6a]C[6a]H)2	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<2>,3|H<1>,7|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<3>,8|C<3>}	C[6a](N[5]Se[5,5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<4>,1|O<2>,1|O<3>,4|C<3>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	118.1730	3.570	3	118.1730	3.570	3
542	422	643	0:SP3_SP2_SP3	N[5]	Se[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2{2|H<1>,2|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	117.3390	0.856	2	117.3390	0.732	2	117.3390	0.732	2	117.3390	0.732	2	117.3390	0.732	2	117.3390	0.732	2
542	422	818	5:SP2_SP2_SP3	N[5]	Se[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2{2|H<1>,2|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	114.4875	0.185	2	114.4875	0.034	2	114.4875	0.034	2	114.4875	0.034	2	115.1367	1.281	3	115.1367	1.281	3
542	422	818	5:SP2_SP2_SP3	N[5]	Se[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:3:	Se[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:N[5]-4:N[5]-3:	C[5,6]-3:N[5]-3:O-3:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<2>,3|H<1>,7|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<3>,8|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH){1|C<2>,1|H<1>,1|N<4>,4|C<3>}	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	115.1367	1.281	3	115.1367	1.281	3
542	422	818	5:SP3_SP2_SP3	N[5]	Se[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])2{2|H<1>,2|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	114.7905	0.364	2	114.7905	0.133	2	114.7905	0.133	2	114.7905	0.133	2	114.7905	0.133	2	114.7905	0.133	2
542	442	818	0:SP2_SP2_SPD5	N[5]	B[3,3,5,4x6]	C[5]	5:3:3:	6:6:6:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<2>,4|B<6>,4|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H){1|B<5>,1|B<6>,1|C<3>,1|N<3>,6|H<1>}	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H){1|C<4>,2|H<1>,3|B<6>}	127.5840	2.258	2	127.7125	11.213	4	127.7125	11.213	4	126.5536	10.983	8	126.5536	10.983	8	126.5536	10.983	8
542	442	818	0:SP2_SP2_SPD5	N[5]	B[3,3,5,4x6]	C[5]	5:3:3:	6:6:6:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){2|H<2>,4|B<6>,5|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H){1|B<5>,1|B<6>,1|C<3>,1|N<3>,6|H<1>}	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H){3|B<6>,3|H<1>}	127.8410	5.336	2	127.7125	11.213	4	127.7125	11.213	4	126.5536	10.983	8	126.5536	10.983	8	126.5536	10.983	8
542	442	818	0:SP2_SP2_SPD5	N[5]	B[3,3,5,4x6]	C[5]	5:3:3:	6:6:6:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]C)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<2>,4|B<6>,4|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H){1|B<5>,1|B<6>,1|C<3>,1|N<3>,6|H<1>}	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]C)(H){3|B<6>,3|H<1>}	124.9540	1.922	2	124.9540	3.694	2	125.3948	10.833	4	126.5536	10.983	8	126.5536	10.983	8	126.5536	10.983	8
542	442	818	0:SP2_SP2_SPD5	N[5]	B[3,3,5,4x6]	C[5]	5:3:3:	6:6:6:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]H)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){2|H<2>,4|B<6>,5|H<1>}	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(N[5]C[5]2)(H){1|B<5>,1|B<6>,1|C<3>,1|N<3>,6|H<1>}	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]H)(H){3|B<6>,3|H<1>}	125.8355	5.294	2	125.8355	28.028	2	125.3948	10.833	4	126.5536	10.983	8	126.5536	10.983	8	126.5536	10.983	8
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:2:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	122.1662	1.516	5	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.7930	0.000	1	120.7930	0.000	1	120.7930	0.000	1	122.3547	2.189	3	122.1662	1.516	5	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	122.3547	2.189	3	122.1662	1.516	5	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	122.3547	2.189	3	122.1662	1.516	5	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:4:4:2:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	121.0410	0.000	1	121.0410	0.000	1	121.0410	0.000	1	121.0410	0.000	1	122.1662	1.516	5	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.8185	1.445	2	123.8185	2.087	2	123.8185	2.087	2	122.0377	3.406	6	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:Si[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH)	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	120.0470	0.478	2	120.0470	0.228	2	120.0470	0.228	2	122.0377	3.406	6	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.8250	0.000	1	122.2475	0.357	2	122.2475	0.357	2	122.0377	3.406	6	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.6700	0.000	1	122.2475	0.357	2	122.2475	0.357	2	122.0377	3.406	6	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:3:1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|C<3>,1|N<2>,4|H<1>}	122.4100	0.000	1	122.4100	0.000	1	122.4100	0.000	1	122.4100	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:C-3:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCO)(CNO)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCO)(CNO){1|C<3>,1|N<2>,4|H<1>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:4:1:	3:3:1:1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(H)2	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	119.7500	0.000	1	119.7500	0.000	1	119.7500	0.000	1	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|Fe<6>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	124.5520	1.184	3	124.5520	1.402	3	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	121.3540	0.000	1	121.3540	0.000	1	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|B<4>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	124.1940	0.000	1	122.9952	2.182	8	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	121.2170	1.075	2	122.9952	2.182	8	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.9695	0.738	2	122.9952	2.182	8	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	125.4050	0.000	1	122.9952	2.182	8	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|P<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,3|H<1>}	122.9390	0.000	1	122.9952	2.182	8	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	123.0510	0.000	1	122.9952	2.182	8	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	127.1980	0.000	1	127.1980	0.000	1	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	119.1840	0.000	1	119.1840	0.000	1	123.2396	4.569	14	123.0069	5.054	15	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:2:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.8370	0.000	1	123.8370	0.000	1	123.8045	0.002	2	123.8045	0.002	2	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:2:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.7720	0.000	1	123.7720	0.000	1	123.8045	0.002	2	123.8045	0.002	2	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:4:1:	3:4:2:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:P[5]-4:O-2:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:4:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,4|C<4>,4|H<1>}	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:4:2:	3:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	123.0760	0.000	1	123.0760	0.000	1	123.0760	0.000	1	123.0760	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:4:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<3>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	123.5430	0.000	1	123.5430	0.000	1	123.5430	0.000	1	123.5430	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	122.5305	3.357	34	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|F<1>,1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|B<4>,1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|B<4>,1|C<3>,3|C<4>}	119.8660	0.000	1	119.8660	0.000	1	119.8660	0.000	1	119.8660	0.000	1	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	3:4:4:	4:4:4:3:	3:4:1:1:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5])	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Rh<4>,1|Rh<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5]){1|Ge<4>,1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	120.0435	0.380	2	120.2747	0.232	3	120.2747	0.232	3	120.2747	0.232	3	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	3:4:4:	4:4:4:3:	3:4:1:1:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5])	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){2|Ir<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5]){1|Ge<4>,1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	120.7370	0.000	1	120.2747	0.232	3	120.2747	0.232	3	120.2747	0.232	3	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cl2)(C[5]C[5]O)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(Cl)2	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cl2)(C[5]C[5]O){1|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[5]C[3x6]C[5])2(Cl)2{2|O<1>,6|C<4>}	127.2725	0.155	2	127.2725	0.024	2	127.2725	0.024	2	127.2725	0.024	2	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(H)2	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|O<1>,5|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	123.1010	0.000	1	123.1010	0.000	1	122.3820	13.612	3	122.3820	13.612	3	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(N[5]C[5]2){1|Ru<6>,1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<3>,3|C<4>}	118.3860	0.000	1	118.3860	0.000	1	122.3820	13.612	3	122.3820	13.612	3	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru)	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(N[5]C[5]2){1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,3|C<4>}	125.6590	0.000	1	125.6590	0.000	1	122.3820	13.612	3	122.3820	13.612	3	122.4868	11.888	9	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-3:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	125.5393	0.541	3	125.5393	0.293	3	125.5393	0.293	3	125.5393	0.293	3	125.5393	0.293	3	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5,5]	4:3:4:	3:4:4:1:	3:4:3:2:	C[5,5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	127.5730	0.000	1	127.5730	0.000	1	127.5730	0.000	1	127.5730	0.000	1	123.4553	18.361	4	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5,5]	4:3:4:	3:4:4:1:	4:3:3:1:	C[5,5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	123.4553	18.361	4	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5,5]	4:4:3:	3:4:4:1:	3:3:2:2:	C[5,5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O){4|H<1>,5|C<4>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	126.7230	0.000	1	126.7230	0.000	1	126.7230	0.000	1	126.7230	0.000	1	123.4553	18.361	4	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5,5]	4:4:3:	3:4:4:1:	4:3:2:4:	C[5,5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3)	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	123.4553	18.361	4	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	3:4:4:	4:4:3:1:	3:4:1:1:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Ni<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<3>,1|H<1>,2|C<4>}	123.2855	1.384	2	123.2855	1.915	2	123.2855	1.915	2	123.2855	1.915	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	3:4:4:	4:4:3:1:	4:3:1:1:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	122.6480	0.676	3	122.6480	0.457	3	122.6480	0.457	3	122.6480	0.457	3	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.9818	1.094	4	123.9818	1.196	4	123.9818	1.196	4	123.9818	1.196	4	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.4025	0.465	2	124.4025	0.216	2	124.4025	0.216	2	124.4025	0.216	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:2:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	124.1400	0.000	1	124.1400	0.000	1	124.1400	0.000	1	124.1400	0.000	1	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H){1|Pt<4>,2|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	122.5780	1.089	4	122.5780	1.187	4	122.5780	1.187	4	122.5780	1.187	4	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	2:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:	O[6]-2:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.6370	0.578	2	123.6370	0.335	2	123.6370	0.335	2	123.6370	0.335	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	3:3:2:1:	3:3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-3:N[5]-3:O[6]-2:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	124.2510	0.000	1	124.2510	0.000	1	124.1852	1.091	6	124.1852	1.091	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	124.5000	0.000	1	124.2395	1.787	4	124.1852	1.091	6	124.1852	1.091	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	124.1527	1.623	3	124.2395	1.787	4	124.1852	1.091	6	124.1852	1.091	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.9020	0.000	1	123.9020	0.000	1	124.1852	1.091	6	124.1852	1.091	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7900	0.000	1	121.7900	0.000	1	123.6912	1.680	5	123.6912	1.680	5	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	125.4000	0.000	1	125.4000	0.000	1	123.6912	1.680	5	123.6912	1.680	5	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.4180	0.000	1	123.4180	0.000	1	123.6912	1.680	5	123.6912	1.680	5	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.9240	0.037	2	123.9240	0.001	2	123.6912	1.680	5	123.6912	1.680	5	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	125.7855	0.005	2	125.7855	0.000	2	125.7855	0.000	2	125.7855	0.000	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:2:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:H-1:	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.6300	0.000	1	120.6690	0.003	2	120.6690	0.003	2	120.6690	0.003	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:2:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:H-1:	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.7080	0.000	1	120.6690	0.003	2	120.6690	0.003	2	120.6690	0.003	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:S[5]-4:H-1:	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	125.1500	0.000	1	125.1500	0.000	1	123.8855	2.286	6	123.8855	2.286	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	123.1170	0.000	1	123.1170	0.000	1	123.8855	2.286	6	123.8855	2.286	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	123.9040	0.000	1	123.9650	0.007	2	123.8855	2.286	6	123.8855	2.286	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	124.0260	0.000	1	123.9650	0.007	2	123.8855	2.286	6	123.8855	2.286	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	125.6800	0.000	1	125.6800	0.000	1	123.8855	2.286	6	123.8855	2.286	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]Ru)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]Ru){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<3>,1|H<1>,2|C<4>}	121.4360	0.000	1	121.4360	0.000	1	123.8855	2.286	6	123.8855	2.286	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	127.4120	0.103	2	127.4120	0.011	2	128.0467	1.214	3	127.8603	0.527	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	129.3160	0.000	1	129.3160	0.000	1	128.0467	1.214	3	127.8603	0.527	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C[6]-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O){1|N<3>,4|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H){1|O<1>,4|C<4>,5|H<1>}	127.6740	0.028	3	127.6740	0.001	3	127.6740	0.001	3	127.8603	0.527	6	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:4:4:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{2|H<1>,4|C<4>}	122.6555	0.581	2	122.6555	0.337	2	122.6555	0.337	2	122.6555	0.337	2	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]2H)(C[5]N[5]Rh)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]2H)(C[5]N[5]Rh){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	123.3400	0.000	1	123.3400	0.000	1	123.3400	0.000	1	126.5137	7.802	3	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP2_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	128.1005	0.704	2	128.1005	0.495	2	128.1005	0.495	2	126.5137	7.802	3	124.1757	4.359	53	123.4352	5.426	108
542	466	474	0:SP3_SP3_SP3	N[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:	N[5,5,6]-3:C[6]-4:H-1:H-1:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH)	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	117.9070	0.000	1	117.9070	0.000	1	117.9070	0.000	1	117.9070	0.000	1	117.9070	0.000	1	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5,5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H)	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H){4|C<4>,6|H<1>}	C[5,5,6](N[5,6,6]N[5,6,6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,4|C<4>,8|H<1>}	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH)	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH){5|H<1>,6|C<4>}	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2{5|C<4>,5|H<1>}	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[4x6]-4:N[5,6,6]-3:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	116.7530	0.078	2	116.7530	0.078	2	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	116.7530	0.078	2	116.7530	0.078	2	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:4:1:	3:3:4:4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	124.6073	0.474	3	124.6073	0.225	3	124.6073	0.225	3	124.6073	0.225	3	124.6073	0.225	3	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	119.0720	0.000	1	119.0720	0.000	1	119.0720	0.000	1	119.0720	0.000	1	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	3:3:3:2:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:3:4:	4:3:4:2:	3:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.4550	0.000	2	115.4550	0.000	2	115.4550	0.000	2	115.4550	0.000	2	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	119.1500	0.000	1	119.1500	0.000	1	119.1500	0.000	1	119.1500	0.000	1	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.9701	8.857	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:4:	3:4:1:1:	3:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O)	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,7|H<1>}	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:3:4:	3:4:1:1:	3:3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-3:C[5]-4:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	115.4250	0.000	1	115.4250	0.000	1	115.4250	0.000	1	115.4250	0.000	1	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	3:3:4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	115.8390	1.612	2	115.8390	2.599	2	115.8390	2.599	2	115.8390	2.599	2	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	115.5500	0.323	4	115.5500	0.104	4	115.3300	0.346	15	115.3300	0.346	15	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	115.8100	0.229	3	115.6862	0.063	5	115.3300	0.346	15	115.3300	0.346	15	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	115.5005	0.177	2	115.6862	0.063	5	115.3300	0.346	15	115.3300	0.346	15	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	115.4425	0.535	2	114.8834	0.568	5	115.3300	0.346	15	115.3300	0.346	15	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	114.5107	0.686	3	114.8834	0.568	5	115.3300	0.346	15	115.3300	0.346	15	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	114.9020	0.000	1	114.9020	0.000	1	115.3300	0.346	15	115.3300	0.346	15	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:3:4:1:	3:4:4:3:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-3:	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O)	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,6|H<1>}	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	116.6315	0.081	2	116.6315	0.007	2	116.2957	0.342	3	116.2957	0.342	3	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	115.6240	0.000	1	115.6240	0.000	1	116.2957	0.342	3	116.2957	0.342	3	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>,8|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	117.8329	1.814	9	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	117.0770	0.580	5	117.0770	0.336	5	117.0770	0.336	5	117.8329	1.814	9	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	116.8390	0.000	1	116.8390	0.000	1	117.6380	1.277	2	117.8329	1.814	9	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	118.4370	0.000	1	118.4370	0.000	1	117.6380	1.277	2	117.8329	1.814	9	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:3:4:3:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	117.8329	1.814	9	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:4:3:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	116.3990	0.175	3	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:4:3:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	116.3990	0.175	3	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	3:4:3:3:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	116.3990	0.175	3	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:1:1:	4:3:3:3:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	116.4720	0.655	2	116.4720	0.429	2	116.4720	0.429	2	116.4720	0.429	2	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	116.0110	3.700	39	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	110.8885	0.894	2	110.8885	0.800	2	110.8885	0.800	2	110.8885	0.800	2	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	117.6397	0.629	3	117.6397	0.395	3	117.6397	0.395	3	117.6397	0.395	3	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	111.1650	0.000	1	111.1955	0.002	2	112.0197	2.039	3	112.0197	2.039	3	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	111.2260	0.000	1	111.1955	0.002	2	112.0197	2.039	3	112.0197	2.039	3	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	113.6680	0.000	1	113.6680	0.000	1	112.0197	2.039	3	112.0197	2.039	3	114.0907	19.374	11	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:2:1:	3:4:4:4:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	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])(OH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	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])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:3:4:1:	3:4:4:4:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	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])(CCHH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	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])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.7770	0.000	1	117.7770	0.000	1	117.7770	0.000	1	117.7770	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:4:1:	3:4:2:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:P[5]-4:O-2:H-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	122.2890	0.000	1	122.2890	0.000	1	122.2890	0.000	1	122.2890	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:	3:4:4:2:	3:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:P[5]-4:C[6a]-3:H-1:	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	108.2530	0.914	2	108.2530	0.835	2	108.2530	0.835	2	108.2530	0.835	2	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6a]N[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[6a]C[6a]2)(N[6]C[6]C)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	114.8758	15.964	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	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[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	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[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.2400	0.000	1	112.2400	0.000	1	113.1225	0.792	4	114.8758	15.964	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	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[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	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[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.7080	0.000	1	113.5095	1.285	2	113.1225	0.792	4	114.8758	15.964	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	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[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	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[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.3110	0.000	1	113.5095	1.285	2	113.1225	0.792	4	114.8758	15.964	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	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[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	113.2310	0.000	1	113.2310	0.000	1	113.1225	0.792	4	114.8758	15.964	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:4:4:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-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)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	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[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	113.5140	0.000	1	113.5140	0.000	1	113.5140	0.000	1	113.5140	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:3:1:	3:4:4:1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C-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)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H)	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[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:2:1:	3:3:4:1:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	N[5,6]-3:C[6a]-3:C[5]-4: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])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:3:4:1:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-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])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-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])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	116.7085	0.180	2	116.7085	0.033	2	116.7085	0.033	2	116.7085	0.033	2	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:4:1:	3:4:3:1:	C[5]-4:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:3:4:1:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-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])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2{2|N<3>,3|C<3>,4|H<1>}	115.0210	0.000	1	115.0210	0.000	1	115.0210	0.000	1	115.0210	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[3x5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5115	0.885	2	120.5115	0.783	2	120.5115	0.783	2	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	121.2475	0.419	2	121.2475	0.176	2	121.2475	0.176	2	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	112.3247	0.561	3	111.9663	0.397	12	113.2404	7.172	18	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.8469	0.635	9	111.9663	0.397	12	113.2404	7.172	18	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.6895	0.941	4	114.6810	5.580	5	113.2404	7.172	18	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	118.6470	0.000	1	114.6810	5.580	5	113.2404	7.172	18	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	121.3260	0.000	1	121.3260	0.000	1	113.2404	7.172	18	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.5670	0.000	1	110.5670	0.000	1	112.6255	2.364	4	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	113.1980	0.000	1	113.3117	0.721	3	112.6255	2.364	4	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.5250	0.000	1	113.3117	0.721	3	112.6255	2.364	4	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	114.2120	0.000	1	113.3117	0.721	3	112.6255	2.364	4	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	113.7970	0.000	1	113.7970	0.000	1	114.4500	0.853	2	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	115.1030	0.000	1	115.1030	0.000	1	114.4500	0.853	2	114.3803	12.214	30	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	115.8060	7.380	2	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	115.8060	7.380	2	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.3160	1.041	3	112.3160	1.084	3	112.3160	1.084	3	112.3160	1.084	3	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	114.9050	0.000	1	114.9050	0.000	1	114.9050	0.000	1	114.9050	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.5190	0.410	3	111.5190	0.168	3	111.5190	0.168	3	113.5883	8.896	6	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	114.8170	0.000	1	114.8170	0.000	1	114.8170	0.000	1	113.5883	8.896	6	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.0780	4.171	2	116.0780	17.393	2	116.0780	17.393	2	113.5883	8.896	6	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,7|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|H<1>,5|C<3>}	115.2110	0.000	1	115.2110	0.000	1	114.6115	0.719	2	115.1100	1.105	3	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|C<3>,5|H<1>}	114.0120	0.000	1	114.0120	0.000	1	114.6115	0.719	2	115.1100	1.105	3	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	115.1100	1.105	3	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,6|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2{1|C<3>,1|C<4>,4|H<1>}	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.8400	0.000	1	113.8400	0.000	1	114.9010	2.251	2	114.9010	2.251	2	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	115.9620	0.000	1	115.9620	0.000	1	114.9010	2.251	2	114.9010	2.251	2	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.5140	0.000	1	119.5140	0.000	1	115.1450	38.176	2	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.7760	0.000	1	110.7760	0.000	1	115.1450	38.176	2	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2{2|H<1>,6|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.3760	0.000	1	120.3760	0.000	1	120.3760	0.000	1	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	114.9400	0.000	1	114.9400	0.000	1	113.3300	5.184	2	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	111.7200	0.000	1	111.7200	0.000	1	113.3300	5.184	2	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.2050	0.000	1	109.2050	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	108.0160	0.000	1	113.1105	51.908	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	118.2050	0.000	1	113.1105	51.908	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.2795	0.797	2	116.6693	15.657	4	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.6260	0.000	1	116.6693	15.657	4	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.4920	0.000	1	116.6693	15.657	4	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.9430	0.105	2	116.9430	0.011	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.6750	0.000	1	107.8215	1.630	4	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.7530	0.000	1	107.8215	1.630	4	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.4290	0.069	2	107.8215	1.630	4	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	107.7120	0.000	1	107.7120	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	107.9380	0.000	1	108.0245	0.015	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.1110	0.000	1	108.0245	0.015	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.7610	0.000	1	107.7610	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.0340	0.010	2	115.0340	0.000	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.2630	0.000	1	114.4397	0.560	6	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.2750	0.705	5	114.4397	0.560	6	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|I<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.2740	0.013	2	115.2740	0.000	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.6620	0.000	1	117.6620	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.1155	0.062	2	107.1155	0.004	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	109.1520	0.000	1	110.8970	6.090	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){3|H<1>,6|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|C<4>,4|H<1>}	112.6420	0.000	1	110.8970	6.090	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	111.0610	0.000	1	111.0610	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	110.7770	0.000	1	110.7770	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	111.1590	0.000	1	116.6256	9.380	5	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	117.7050	0.000	1	116.6256	9.380	5	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	118.0095	0.138	2	116.6256	9.380	5	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	118.2450	0.000	1	116.6256	9.380	5	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.9290	0.000	1	114.7690	14.941	5	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	115.7290	3.712	4	114.7690	14.941	5	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.6550	0.972	2	113.6550	0.944	2	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.4370	0.000	1	112.4370	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	106.5830	0.000	1	106.5830	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.7080	0.000	1	113.7080	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	115.5870	0.000	1	115.5870	0.000	1	113.0835	16.176	50	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.3950	0.000	1	115.8775	5.399	4	115.8775	5.399	4	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.0383	0.114	3	115.8775	5.399	4	115.8775	5.399	4	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.1290	1.581	2	120.1290	2.500	2	120.1290	2.500	2	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,2|S<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<4>,2|S<2>,3|H<1>}	115.2290	0.000	1	115.2290	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.2950	0.000	1	115.2950	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	113.2000	0.000	1	113.2000	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	114.2090	0.000	1	114.2090	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2{1|O<2>,2|C<4>,4|H<1>}	114.2310	0.000	1	114.2310	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	115.0290	0.752	5	115.2263	0.687	6	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	116.2130	0.000	1	115.2263	0.687	6	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	115.1700	0.000	1	115.1700	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|S<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	115.3950	0.000	1	115.3950	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.2930	0.000	1	111.2930	0.000	1	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.2975	0.221	2	111.2975	0.049	2	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<4>,5|H<1>}	112.7715	0.309	6	112.7715	0.096	6	113.8456	2.414	22	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	P[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|H<1>}	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	113.8080	12.831	86	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-2:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H){1|O<2>,2|C<4>,4|H<1>}	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	111.1090	0.000	1	111.1090	0.000	1	113.5150	4.830	3	115.3094	8.608	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH){1|S<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	115.4170	0.000	1	115.4170	0.000	1	113.5150	4.830	3	115.3094	8.608	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	114.0190	0.000	1	114.0190	0.000	1	113.5150	4.830	3	115.3094	8.608	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){1|Al<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	118.0010	0.789	2	118.0010	0.623	2	118.0010	0.623	2	115.3094	8.608	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	114.3205	5.401	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	115.9090	0.000	1	115.9090	0.000	1	113.5370	4.419	3	114.3205	5.401	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	112.3510	0.631	2	112.3510	0.398	2	113.5370	4.419	3	114.3205	5.401	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	115.7070	1.855	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	115.0680	0.000	1	115.0680	0.000	1	115.0680	0.000	1	115.7070	1.855	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	117.6720	0.000	1	117.6720	0.000	1	116.5865	2.357	2	115.7070	1.855	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	115.5010	0.000	1	115.5010	0.000	1	116.5865	2.357	2	115.7070	1.855	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C-4:H-1:	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C-4:C-3:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:2:1:	3:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH){3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	117.1595	1.365	4	117.1595	1.864	4	117.1595	1.864	4	117.1595	1.864	4	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	113.1024	0.935	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	112.7475	0.638	4	112.7475	0.407	4	112.7475	0.407	4	113.1024	0.935	5	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[3,6]-4:N[5,6]-3:C-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.1130	0.247	2	115.1130	0.061	2	115.1130	0.061	2	114.9750	0.088	3	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.6990	0.000	1	114.6990	0.000	1	114.6990	0.000	1	114.9750	0.088	3	114.4273	11.967	190	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[3x6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|Ge<3>,1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	117.1900	0.000	1	117.3070	0.027	2	117.3070	0.027	2	117.3070	0.027	2	117.3070	0.027	2	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[3x6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|Ge<3>,1|N<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	117.4240	0.000	1	117.3070	0.027	2	117.3070	0.027	2	117.3070	0.027	2	117.3070	0.027	2	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	113.4980	0.389	2	113.2047	0.971	4	113.2047	0.971	4	112.7672	1.200	6	113.4140	2.297	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	112.9115	1.555	2	113.2047	0.971	4	113.2047	0.971	4	112.7672	1.200	6	113.4140	2.297	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	111.8920	0.888	2	111.8920	0.789	2	111.8920	0.789	2	112.7672	1.200	6	113.4140	2.297	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	C[3x6]-4:C[6,6]-4:N[5]-3:C-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2{1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	115.3545	0.194	2	115.3545	0.038	2	115.3545	0.038	2	115.3545	0.038	2	113.4140	2.297	8	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5,5,6]	4:4:4:	3:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:S[5]-4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO)	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO){1|C<3>,5|C<4>,5|H<1>}	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[6]S[5])(H){1|O<2>,2|O<1>,4|C<4>,6|H<1>}	127.2980	0.000	1	127.2980	0.000	1	127.2980	0.000	1	127.2980	0.000	1	127.2980	0.000	1	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5,5]	4:4:4:	3:3:3:1:	3:4:3:1:	C[5,5]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.0100	0.000	1	119.0100	0.000	1	119.0100	0.000	1	119.0100	0.000	1	119.0100	0.000	1	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	3:4:4:	4:4:3:1:	4:3:1:1:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	118.2230	0.000	1	118.2230	0.000	1	118.2230	0.000	1	118.2230	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	3:3:2:1:	3:4:4:4:	C[6]-4:C[5]-4:N[5]-3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	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[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O)	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	123.9150	0.000	1	123.9150	0.000	1	123.9150	0.000	1	123.9150	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	124.6560	0.000	1	124.6560	0.000	1	124.6560	0.000	1	124.6560	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5,5]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	118.5543	4.176	3	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	119.7185	0.469	2	119.7185	0.220	2	119.7185	0.220	2	118.5543	4.176	3	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	119.6460	0.000	1	119.6460	0.000	1	119.6460	0.000	1	119.6460	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:2:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	116.0330	1.022	2	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:2:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,4|H<1>}	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	116.0330	1.022	2	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:2:1:	3:4:4:1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	115.7640	0.000	1	115.7640	0.000	1	115.7640	0.000	1	115.1865	0.667	2	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:2:1:	3:4:4:1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-4:P-4:H-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	115.1865	0.667	2	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:3:4:1:	C[6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	119.6180	0.000	1	119.6180	0.000	1	119.6180	0.000	1	119.6180	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:3:4:4:	C[6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.9260	0.000	1	114.9260	0.000	1	114.9260	0.000	1	114.9260	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	116.0660	2.128	3	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	116.5585	1.674	2	116.5585	2.801	2	116.5585	2.801	2	116.0660	2.128	3	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:3:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	113.9170	0.000	1	113.9170	0.000	1	113.2060	1.011	2	113.2060	1.011	2	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.4950	0.000	1	112.4950	0.000	1	113.2060	1.011	2	113.2060	1.011	2	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.0936	1.802	5	114.0936	3.248	5	115.1758	6.200	22	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,2|N<3>,7|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	118.9250	0.000	1	118.9250	0.000	1	115.1758	6.200	22	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	114.0300	0.781	4	114.0300	0.610	4	115.1758	6.200	22	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){3|C<4>,8|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	112.3115	0.756	4	112.3115	0.571	4	115.1758	6.200	22	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	118.2935	1.011	4	118.2935	1.022	4	115.1758	6.200	22	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){5|C<4>,8|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	116.4838	1.517	4	116.4838	2.301	4	115.1758	6.200	22	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	113.8685	0.337	2	113.8685	0.114	2	114.4055	1.160	4	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,2|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	114.9425	1.487	2	114.9425	2.211	2	114.4055	1.160	4	115.0573	5.428	26	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	114.9338	0.525	5	114.9338	0.276	5	115.0483	0.299	6	115.0483	0.299	6	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,2|N<3>,7|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	115.6210	0.000	1	115.6210	0.000	1	115.0483	0.299	6	115.0483	0.299	6	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.4155	0.086	2	120.5453	0.054	3	120.5453	0.054	3	119.2118	2.505	6	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	120.8050	0.000	1	120.5453	0.054	3	120.5453	0.054	3	119.2118	2.505	6	116.4386	8.315	61	115.2348	12.120	330
542	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	117.8783	0.935	3	117.8783	0.874	3	117.8783	0.874	3	119.2118	2.505	6	116.4386	8.315	61	115.2348	12.120	330
542	466	474	6:SP2_SP3_SP3	N[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:3:	3:3:4:1:	4:3:2:3:	C[5,5,3x6]-4:C[6,6]-4:C[5,6]-3:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O)	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	3:3:4:1:	3:4:2:4:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:O[5]-2:C-4:	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	110.9940	0.252	2	110.9940	0.063	2	110.9940	0.063	2	110.9940	0.063	2	112.2080	2.930	5	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	3:3:4:1:	3:4:3:2:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:O[5]-2:	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a])	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	112.2080	2.930	5	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	3:4:3:1:	3:3:4:4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:N[5,6,6]-3:C[3x6]-4:C-4:	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	112.2080	2.930	5	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:3:3:4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH)	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,5|H<1>}	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	112.2080	2.930	5	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,3x6]	4:3:4:	3:4:4:2:	3:4:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	3:4:1:1:	3:4:3:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,6|H<1>}	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	3:4:3:1:	3:4:3:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	116.8710	0.000	1	116.8710	0.000	1	116.9843	0.131	4	116.9843	0.131	4	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	3:4:3:1:	3:4:3:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	116.5400	0.000	1	117.0220	0.188	3	116.9843	0.131	4	116.9843	0.131	4	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	3:4:3:1:	3:4:3:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	117.2630	0.167	2	117.0220	0.188	3	116.9843	0.131	4	116.9843	0.131	4	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	3:4:3:1:	4:3:3:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	3:4:4:1:	3:4:3:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:	4:3:3:1:	4:3:4:3:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[3x6]-4:N[5,6]-3:	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5]){1|Br<1>,1|C<4>,1|N<2>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	116.8511	0.537	8	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H){3|C<4>,9|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	122.6480	0.000	1	122.6480	0.000	1	122.6480	0.000	1	122.6480	0.000	1	122.6480	0.000	1	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6]	C[5,5,3x6]	4:3:4:	3:4:1:1:	4:3:2:4:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH){2|H<1>,3|C<3>,4|C<4>}	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O){2|C<3>,4|C<4>,6|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	117.1250	0.000	1	117.1250	0.000	1	117.1250	0.000	1	117.1250	0.000	1	119.1085	7.869	2	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	4:4:3:	4:3:3:1:	3:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.0920	0.000	1	121.0920	0.000	1	121.0920	0.000	1	121.0920	0.000	1	119.1085	7.869	2	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[3x5,6,6]	4:4:3:	3:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|H<1>,5|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:3:4:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){3|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:3:4:	3:4:3:1:	4:4:3:2:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	124.3550	0.000	1	124.3550	0.000	1	124.3550	0.000	1	124.3550	0.000	1	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:2:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6]-4:	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	C[5,5,6,6](C[5,5,6]C[6]N[5]2)(N[5,6]C[5]C[6])2(C[6]C[6]HH)	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5,5,6,6](C[5,5,6]C[6]N[5]2)(N[5,6]C[5]C[6])2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	116.0615	0.299	2	116.0615	0.089	2	116.0615	0.089	2	116.0615	0.089	2	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	119.5180	0.000	1	119.5180	0.000	1	120.2082	0.222	17	120.2082	0.222	17	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,3|O<1>,6|H<1>}	119.6970	0.000	1	120.0262	0.198	9	120.2082	0.222	17	120.2082	0.222	17	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	120.0694	0.515	5	120.0262	0.198	9	120.2082	0.222	17	120.2082	0.222	17	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	120.0640	0.445	3	120.0262	0.198	9	120.2082	0.222	17	120.2082	0.222	17	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	120.5407	0.265	7	120.5407	0.070	7	120.2082	0.222	17	120.2082	0.222	17	119.8676	3.091	21	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:2:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	115.0712	0.213	4	115.0712	0.046	4	115.0712	0.046	4	115.0712	0.046	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	114.8947	0.601	3	114.8947	0.361	3	115.2026	0.252	11	115.4051	0.348	19	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	115.3181	0.448	8	115.3181	0.200	8	115.2026	0.252	11	115.4051	0.348	19	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	115.6835	0.619	8	115.6835	0.383	8	115.6835	0.383	8	115.4051	0.348	19	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:4:1:1:	3:4:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:2:	3:4:1:1:	3:4:3:3:	C[5,5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O)	N[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]N[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:2:1:1:	3:3:4:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:C-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2C)(COO)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2C)(COO){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	116.2450	0.610	2	116.2450	0.372	2	116.2450	0.372	2	116.2450	0.372	2	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	3:4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,7|H<1>}	114.9050	0.000	1	115.6192	1.730	4	115.6192	1.730	4	115.6192	1.730	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,8|H<1>}	115.5010	1.936	2	115.6192	1.730	4	115.6192	1.730	4	115.6192	1.730	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,7|H<1>}	116.5700	0.000	1	115.6192	1.730	4	115.6192	1.730	4	115.6192	1.730	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:1:1:	3:3:2:2:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:S[5]-2:	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5])	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	114.9760	0.000	1	114.9760	0.000	1	114.9760	0.000	1	114.9760	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2H)(H){2|O<1>,3|C<4>,4|H<1>}	117.8357	1.635	4	117.8357	2.673	4	117.8357	2.673	4	117.8357	2.673	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:C[5]-4:	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S){10|H<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)2{1|C<4>,1|S<1>,7|H<1>}	117.8345	0.142	2	117.8345	0.020	2	117.8345	0.020	2	117.8345	0.020	2	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	119.3160	0.182	2	119.7820	0.353	4	119.7820	0.353	4	119.7820	0.353	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,9|H<1>}	120.2480	0.395	2	119.7820	0.353	4	119.7820	0.353	4	119.7820	0.353	4	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:3:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5,5]-4:C[5]-4:	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	115.9200	0.000	1	115.9200	0.000	1	115.9200	0.000	1	115.9200	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	4:3:1:1:	3:4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[6]-3:C[5]-4:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,8|H<1>}	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	116.3461	2.826	47	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:3:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:2:	3:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:3:1:1:	3:4:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|H<1>,1|I<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|I<1>,1|O<1>,4|H<1>,7|C<3>}	120.7610	0.455	2	120.7610	0.207	2	120.7610	0.207	2	120.7610	0.207	2	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:3:1:1:	3:4:4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.0065	0.480	2	121.0065	0.231	2	121.0065	0.231	2	121.0065	0.231	2	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	123.5300	0.000	1	123.5300	0.000	1	123.3380	0.074	2	123.3380	0.074	2	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	123.1460	0.000	1	123.1460	0.000	1	123.3380	0.074	2	123.3380	0.074	2	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:3:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6,6]-4:O[6]-2:	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6])	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	121.2025	0.019	2	121.2025	0.000	2	121.2025	0.000	2	120.7730	0.554	3	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:3:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	120.7730	0.554	3	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:3:4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|I<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	119.6760	0.000	1	119.6760	0.000	1	119.6760	0.000	1	118.8403	7.231	6	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	116.6640	0.000	1	118.6732	8.829	5	118.6732	8.829	5	118.8403	7.231	6	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	118.8170	0.000	1	118.6732	8.829	5	118.6732	8.829	5	118.8403	7.231	6	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	123.7740	0.000	1	118.6732	8.829	5	118.6732	8.829	5	118.8403	7.231	6	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	117.0555	0.074	2	118.6732	8.829	5	118.6732	8.829	5	118.8403	7.231	6	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,9|H<1>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:3:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	N[5,6](C[5,6,6]C[6,6,6a]C[5,6]C)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6,6]C[6,6,6a]C[5,6]C)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	119.6730	3.411	2	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	119.6730	3.411	2	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,9|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	120.1225	0.103	2	120.0257	0.033	3	119.6280	0.343	7	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	119.8320	0.000	1	120.0257	0.033	3	119.6280	0.343	7	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	119.9590	0.000	1	119.7835	0.062	2	119.6280	0.343	7	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	119.6080	0.000	1	119.7835	0.062	2	119.6280	0.343	7	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.2470	0.000	1	119.2470	0.000	1	119.6280	0.343	7	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|S<1>,4|C<4>,4|H<1>}	118.5050	0.000	1	118.5050	0.000	1	119.6280	0.343	7	119.5276	0.375	8	119.9606	3.577	33	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:2:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:2:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3){2|H<1>,4|C<3>}	114.8540	0.537	2	114.8540	0.289	2	114.8540	0.289	2	114.8540	0.289	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	3:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:2:1:	3:3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:O-2:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:3:4:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	122.4520	0.212	2	122.4520	0.045	2	122.4520	0.045	2	122.4520	0.045	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:4:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	123.6350	0.000	1	123.6350	0.000	1	123.6350	0.000	1	123.6350	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.7445	0.029	2	119.7445	0.001	2	119.7445	0.001	2	119.6410	0.033	3	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	119.6410	0.033	3	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	119.2549	1.265	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.6813	0.854	3	119.0355	1.350	8	119.0355	1.350	8	119.2549	1.265	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.2480	1.359	5	119.0355	1.350	8	119.0355	1.350	8	119.2549	1.265	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	119.2549	1.265	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	118.3810	0.000	1	118.3810	0.000	1	118.3810	0.000	1	118.3810	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	119.4790	0.003	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	119.4790	0.003	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	118.6010	0.000	1	118.6010	0.000	1	120.3700	2.347	3	118.8329	2.933	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	121.2545	0.008	2	121.2545	0.000	2	120.3700	2.347	3	118.8329	2.933	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	117.5980	0.000	1	118.9462	0.924	4	118.1741	1.929	7	118.8329	2.933	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	119.3957	0.417	3	118.9462	0.924	4	118.1741	1.929	7	118.8329	2.933	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	116.5580	1.083	2	116.5580	1.174	2	118.1741	1.929	7	118.8329	2.933	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.1741	1.929	7	118.8329	2.933	10	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	119.5520	1.739	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.2007	0.290	3	120.2007	0.084	3	120.2007	0.084	3	119.5520	1.739	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	118.9185	0.339	2	118.9185	0.115	2	119.2205	1.246	4	119.2205	1.246	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]Ir)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]Ir)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Ir<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	119.5225	1.805	2	119.5225	3.259	2	119.2205	1.246	4	119.2205	1.246	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	119.9215	0.807	2	119.9215	0.651	2	119.9215	0.651	2	119.9215	0.651	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]Rh)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]Rh)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	119.2825	1.076	2	119.2825	1.157	2	119.2825	1.157	2	119.2825	1.157	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	6:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,6]-3:O[6]-2:	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(O[6]C[6])	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<6>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|B<6>,9|H<1>}	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:4:1:	3:3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.0080	0.000	2	121.0080	0.000	2	121.0080	0.000	2	121.0080	0.000	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:4:4:	3:3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC){1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2{6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:4:4:	4:3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	121.3485	2.556	2	121.3485	6.534	2	121.3485	6.534	2	121.3485	6.534	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:3:2:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:3:3:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	114.0710	0.049	2	114.0710	0.002	2	114.0710	0.002	2	114.0710	0.002	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:2:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO){1|O<1>,3|C<3>,3|H<1>}	119.6720	0.000	1	119.6720	0.000	1	119.6720	0.000	1	119.6720	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	122.0830	0.629	2	121.9090	0.289	3	121.9090	0.289	3	121.3115	0.724	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	121.5610	0.000	1	121.9090	0.289	3	121.9090	0.289	3	121.3115	0.724	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H){1|O<1>,3|H<1>,4|C<3>}	121.4220	0.000	1	121.4220	0.000	1	121.4220	0.000	1	121.3115	0.724	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	120.6320	0.000	1	120.3600	0.148	2	120.3600	0.148	2	121.3115	0.724	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	120.0880	0.000	1	120.3600	0.148	2	120.3600	0.148	2	121.3115	0.724	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:2:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH){1|O<1>,3|H<1>,4|C<3>}	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-3:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,3|H<1>,4|C<3>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	121.7560	0.000	1	121.7560	0.000	1	121.7560	0.000	1	121.7560	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	121.7180	0.000	1	121.7180	0.000	1	122.1112	0.670	8	122.1112	0.670	8	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	122.6680	0.776	4	122.6680	0.602	4	122.1112	0.670	8	122.1112	0.670	8	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,1|S<2>,5|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	121.8410	0.000	1	121.8410	0.000	1	122.1112	0.670	8	122.1112	0.670	8	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	121.3295	0.438	2	121.3295	0.192	2	122.1112	0.670	8	122.1112	0.670	8	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	4:3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,2|H<1>,4|C<3>}	122.3240	0.609	4	122.3240	0.371	4	122.3240	0.371	4	122.3240	0.371	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:2:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:3:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	121.2630	0.000	1	121.2630	0.000	1	121.2630	0.000	1	120.8200	0.392	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:3:1:	3:3:4:1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	120.8200	0.392	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:3:1:	3:4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.9210	0.000	1	119.9210	0.000	1	119.9210	0.000	1	119.9210	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:4:1:	4:3:2:2:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	121.6675	1.599	2	121.6675	2.556	2	121.6675	2.556	2	121.6675	2.556	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H)	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	118.3700	0.000	2	118.3700	0.000	2	118.3700	0.000	2	118.3700	0.000	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.4810	0.000	1	120.4810	0.000	1	116.6458	4.634	5	117.1683	5.345	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	115.6870	0.223	4	115.6870	0.050	4	116.6458	4.634	5	117.1683	5.345	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-3:C-4:	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3)	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|S<3>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	117.1683	5.345	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	121.3327	0.437	3	121.3327	0.191	3	120.8192	0.567	14	120.8196	0.527	15	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	120.6792	0.774	11	120.6792	0.599	11	120.8192	0.567	14	120.8196	0.527	15	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	120.8196	0.527	15	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:2:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	120.9770	0.317	3	120.9770	0.100	3	120.9770	0.100	3	120.0422	3.562	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:2:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	117.2380	0.000	1	117.2380	0.000	1	117.2380	0.000	1	120.0422	3.562	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.4360	0.000	1	121.4360	0.000	1	120.5505	1.568	2	120.5080	0.680	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.6650	0.000	1	119.6650	0.000	1	120.5505	1.568	2	120.5080	0.680	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	120.5080	0.680	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	120.5080	0.680	4	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	121.4380	0.909	2	119.9900	6.704	3	120.2738	3.881	5	120.2738	3.881	5	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.0940	0.000	1	119.9900	6.704	3	120.2738	3.881	5	120.2738	3.881	5	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.8300	0.000	1	119.8300	0.000	1	120.2738	3.881	5	120.2738	3.881	5	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.5690	0.000	1	121.5690	0.000	1	120.2738	3.881	5	120.2738	3.881	5	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	118.7315	0.029	2	118.7315	0.001	2	118.7315	0.001	2	118.7315	0.001	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	121.7310	0.000	1	121.7310	0.000	1	121.8150	0.014	2	121.8150	0.014	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	121.8990	0.000	1	121.8990	0.000	1	121.8150	0.014	2	121.8150	0.014	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N)	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N){3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N)	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2{2|N<3>,4|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	118.0140	0.000	1	118.0140	0.000	1	118.0140	0.000	1	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	117.5640	0.000	1	117.5640	0.000	1	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	118.4027	0.475	3	118.4027	0.226	3	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2{1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.3050	0.000	1	119.3050	0.000	1	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir){2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	119.1910	0.000	1	119.1910	0.000	1	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Rh)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Rh){2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Rh<6>,2|C<4>,4|H<1>}	119.1920	0.000	1	119.1920	0.000	1	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	120.8620	0.000	1	120.2617	0.336	3	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	119.9615	0.363	2	120.2617	0.336	3	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|S<4>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	122.4510	0.000	1	122.4510	0.000	1	119.4269	1.910	11	119.3418	1.758	13	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<4>,1|O<1>,6|H<1>}	118.7745	0.670	2	118.7745	0.448	2	118.7745	0.448	2	118.7745	0.448	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|N<3>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	120.1042	3.415	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	121.2065	0.788	4	121.2065	0.621	4	121.2065	0.621	4	120.1042	3.415	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	120.1042	3.415	6	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.9300	0.000	1	120.9300	0.000	1	120.4020	0.556	3	120.4020	0.556	3	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	120.1380	0.833	2	120.1380	0.694	2	120.4020	0.556	3	120.4020	0.556	3	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:S-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<3>,3|H<1>}	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.0305	0.084	2	123.0305	0.007	2	123.0305	0.007	2	119.5854	10.067	5	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.2887	0.592	3	117.2887	0.350	3	117.2887	0.350	3	119.5854	10.067	5	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	117.9760	5.923	2	117.9760	35.079	2	117.9760	35.079	2	117.9760	35.079	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	119.9850	0.000	1	119.9850	0.000	1	118.4775	4.545	2	118.4775	4.545	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.9700	0.000	1	116.9700	0.000	1	118.4775	4.545	2	118.4775	4.545	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,3|C<3>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	118.3935	0.111	2	118.3935	0.012	2	118.8265	0.258	4	118.2920	1.133	7	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.3310	0.000	1	119.3310	0.000	1	118.8265	0.258	4	118.2920	1.133	7	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	119.1880	0.000	1	119.1880	0.000	1	118.8265	0.258	4	118.2920	1.133	7	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	117.5793	1.296	3	117.5793	1.679	3	117.5793	1.679	3	118.2920	1.133	7	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	118.0560	0.136	2	118.0560	0.018	2	118.0560	0.018	2	118.0560	0.018	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP2_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	4:3:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O){3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	116.6725	0.544	2	116.6725	0.296	2	116.6725	0.296	2	116.6725	0.296	2	119.5264	5.810	183	118.9167	7.304	305
542	466	474	6:SP3_SP3_SP3	N[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:	N[5,5,6]-3:C[6]-4:H-1:H-1:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH)	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:	3:4:4:1:	4:3:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH)	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH){5|H<1>,6|C<4>}	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	3:4:3:1:	3:3:4:4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6a]-3:N[5,6,6]-3:C[3x6]-4:C-4:	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	114.9463	0.365	3	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	3:4:3:1:	3:4:3:4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[3x6]-4:C[5]-3:C-4:	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH)	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,6|H<1>}	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.9463	0.365	3	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:	4:3:4:1:	4:3:3:4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5,6a]-3:N[5,6,6]-3:C-4:	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	115.5010	0.000	1	115.5010	0.000	1	115.5010	0.000	1	115.5010	0.000	1	114.9463	0.365	3	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:	3:4:1:1:	4:3:3:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5])	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	109.8340	0.308	3	109.8340	0.095	3	109.8340	0.095	3	109.8340	0.095	3	111.3727	3.503	6	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:	3:4:1:1:	3:4:4:4:	C[5,3x6]-4:C[6,6]-4:S[5]-4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(S[5]O[5]OO)	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(S[5]O[5]OO){2|C<4>,7|H<1>}	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH){1|C<4>,2|O<1>,6|H<1>}	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	111.3727	3.503	6	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:	4:3:1:1:	3:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[4x6]-4:N[5,6,6]-3:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	112.2420	0.431	2	111.3727	3.503	6	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:	4:3:1:1:	3:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.2420	0.431	2	111.3727	3.503	6	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:	3:3:2:1:	3:4:3:1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.2386	0.469	15	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH){1|I<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2{4|C<4>,6|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	108.1919	0.685	14	108.1919	0.469	14	108.1919	0.469	14	108.1919	0.469	14	108.2386	0.469	15	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH){1|I<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2{4|C<4>,6|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	110.1531	0.856	14	110.1531	0.732	14	110.1531	0.732	14	110.1531	0.732	14	111.7647	7.207	20	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	116.9050	0.000	2	116.9050	0.000	2	116.9050	0.000	2	115.7835	1.677	4	111.7647	7.207	20	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	114.6620	0.000	2	114.6620	0.000	2	114.6620	0.000	2	115.7835	1.677	4	111.7647	7.207	20	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|I<1>,4|C<4>,9|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	115.0075	0.385	2	111.7647	7.207	20	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|I<1>,4|C<4>,9|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	115.0075	0.385	2	111.7647	7.207	20	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,3x6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	N[5,6,6]-3:C[6]-4:C-4:H-1:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	107.2967	0.262	3	107.2967	0.069	3	107.2967	0.069	3	107.2967	0.069	3	107.2967	0.069	3	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,6,6]	4:3:4:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,5,6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5,6]-4:C[5,5]-4:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	117.2830	0.000	2	117.2830	0.000	2	117.2830	0.000	2	117.2830	0.000	2	117.4017	0.042	3	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,5,6]	4:4:4:	3:4:3:1:	4:3:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	117.4017	0.042	3	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	3:4:4:	3:4:4:1:	3:3:4:2:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	120.3730	0.000	1	120.3730	0.000	1	120.2690	0.022	2	120.2690	0.022	2	114.2144	21.882	7	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	3:4:4:	3:4:4:1:	3:3:4:2:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	120.1650	0.000	1	120.1650	0.000	1	120.2690	0.022	2	120.2690	0.022	2	114.2144	21.882	7	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	4:4:3:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:N[5]-3:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C)	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C){4|H<1>,5|C<4>}	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	109.3280	0.000	2	109.3280	0.000	2	109.3280	0.000	2	109.3280	0.000	2	114.2144	21.882	7	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	4:4:4:	3:3:3:1:	3:3:3:3:	C[5,6]-4:C[6,6]-4:S[5]-4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO){1|H<1>,8|C<3>}	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	114.2144	21.882	7	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	4:4:4:	4:3:3:1:	3:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	114.2144	21.882	7	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,6]	4:4:4:	4:3:4:1:	3:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	114.2144	21.882	7	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[3x5,6]	4:4:4:	3:3:1:1:	4:4:3:2:	C[3x5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:O[5]-2:	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5])	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5]){11|H<1>,1|C<4>,1|O<1>,4|C<3>}	117.5765	0.936	2	117.5765	0.875	2	117.5765	0.875	2	117.5765	0.875	2	117.5765	0.875	2	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:3:4:	3:4:3:1:	4:4:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	115.2290	8.756	11	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:3:	3:4:1:1:	4:3:4:3:	C[5,3x6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[6,6]-4:N[5,6]-3:	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	116.5305	0.049	6	116.5305	0.002	6	116.5305	0.002	6	116.5305	0.002	6	115.2290	8.756	11	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	115.2290	8.756	11	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	113.6100	1.325	3	115.2290	8.756	11	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	113.6100	1.325	3	115.2290	8.756	11	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	114.9370	0.000	1	114.9370	0.000	1	114.9370	0.000	1	113.6100	1.325	3	115.2290	8.756	11	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:3:4:	3:2:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:N[5,6]-3:N[5,6]-3:C[6]-4:	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	C[5,5,6,6](C[5,5,6,6]N[5,6]2C[6])(N[5,6]C[5]C[6])2(C[6]C[6]HH)	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5,5,6,6](C[5,5,6,6]N[5,6]2C[6])(N[5,6]C[5]C[6])2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	116.2015	0.423	4	116.2015	0.179	4	116.2015	0.179	4	116.2015	0.179	4	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:3:4:	3:4:2:1:	3:3:3:4:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){3|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	119.0490	0.000	1	120.7883	2.919	3	120.7883	2.919	3	120.7883	2.919	3	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	122.4640	0.000	1	120.7883	2.919	3	120.7883	2.919	3	120.7883	2.919	3	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:3:	3:4:1:1:	3:3:3:4:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	120.8520	0.000	1	120.7883	2.919	3	120.7883	2.919	3	120.7883	2.919	3	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:3:1:1:	4:4:3:3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C)	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:1:1:	4:3:3:2:	C[5,5,6,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:N[5,6]-3:O[6]-2:	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6])	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO){1|O<1>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:1:1:	4:3:4:3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6,6]	4:4:4:	3:4:1:1:	4:4:3:2:	C[5,5,6,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:N[5,6]-3:O[6]-2:	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6])	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO){1|O<2>,4|C<4>,5|H<1>}	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	117.2474	6.998	13	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:2:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	115.4483	1.134	4	115.4483	1.286	4	115.4483	1.286	4	115.4483	1.286	4	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	115.0767	0.117	3	115.0767	0.014	3	115.0767	0.014	3	115.0767	0.014	3	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	115.8610	0.000	1	115.8610	0.000	1	116.0146	0.360	13	115.6470	0.570	29	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	116.0113	0.757	8	116.0113	0.574	8	116.0146	0.360	13	115.6470	0.570	29	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5,6](C[5,5,6]N[5,6]2C)(N[5,6]C[5]C[6])2(COO){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	116.0597	0.302	4	116.0597	0.091	4	116.0146	0.360	13	115.6470	0.570	29	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	115.9582	0.449	8	115.9582	0.202	8	115.3484	0.563	16	115.6470	0.570	29	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|S<1>,4|C<3>,6|H<1>}	114.7385	0.393	8	114.7385	0.154	8	115.3484	0.563	16	115.6470	0.570	29	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:4:1:1:	3:3:2:2:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:S[5]-2:	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5])	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.9980	0.000	1	116.9980	0.000	1	116.9980	0.000	1	116.9980	0.000	1	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:3:4:	3:4:2:1:	4:3:3:4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:2:	3:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,9|H<1>}	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:2:	3:4:4:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,2|C<4>,8|H<1>}	115.2760	0.207	4	115.2760	0.043	4	115.2760	0.043	4	115.2760	0.043	4	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:2:1:1:	3:3:4:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:C-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2C)(COO)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2C)(COO){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	116.3223	0.547	3	116.3223	0.299	3	116.3223	0.299	3	116.3223	0.299	3	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	3:3:4:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[5,5]-4:C-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2C)(COO)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](N[5,6]C[5]C[6])2(C[5,5]N[5]2C)(COO){1|N<3>,2|O<1>,6|H<1>}	116.7240	0.341	2	116.7240	0.116	2	116.7240	0.116	2	116.7240	0.116	2	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|O<1>,4|C<3>,8|H<1>}	116.1015	0.617	2	116.1015	0.381	2	116.1015	0.381	2	116.1015	0.381	2	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	120.7930	0.000	1	120.7930	0.000	1	120.7930	0.000	1	120.7930	0.000	1	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<3>,9|H<1>}	112.0785	0.780	2	112.0785	0.608	2	112.0785	0.608	2	112.2160	0.361	3	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	112.2160	0.361	3	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:4:	3:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,5]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H){1|C<4>,3|C<3>,9|H<1>}	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,5,6]	4:4:4:	3:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2{2|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6]){3|C<3>,4|H<1>,5|C<4>}	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	115.5055	1.819	56	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:3:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:3:4:	3:4:1:1:	4:3:4:2:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:3:4:	3:4:2:1:	4:3:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-2:H-1:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:2:	3:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	115.8480	0.000	1	115.8480	0.000	1	115.7376	0.097	5	115.7376	0.097	5	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:2:	3:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	115.8850	0.056	3	115.7100	0.125	4	115.7376	0.097	5	115.7376	0.097	5	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:2:	3:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	115.1850	0.000	1	115.7100	0.125	4	115.7376	0.097	5	115.7376	0.097	5	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:3:1:1:	3:3:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O){3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	111.8330	0.566	4	111.8962	0.260	5	111.8962	0.260	5	112.0811	8.022	7	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	112.1490	0.000	1	111.8962	0.260	5	111.8962	0.260	5	112.0811	8.022	7	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	117.3650	0.000	1	117.3650	0.000	1	117.3650	0.000	1	112.0811	8.022	7	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	112.0811	8.022	7	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	113.0893	0.348	9	113.0893	0.121	9	112.7948	0.373	12	112.4332	0.999	15	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	111.9113	0.080	3	111.9113	0.006	3	112.7948	0.373	12	112.4332	0.999	15	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	111.8390	0.000	1	111.8390	0.000	1	110.9867	1.015	3	112.4332	0.999	15	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	111.2460	0.000	1	110.5605	0.940	2	110.9867	1.015	3	112.4332	0.999	15	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	109.8750	0.000	1	110.5605	0.940	2	110.9867	1.015	3	112.4332	0.999	15	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4995	0.015	2	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H)	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	113.4995	0.015	2	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:3:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	116.8563	0.680	3	116.8563	0.463	3	116.8563	0.463	3	116.8563	0.463	3	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,8|H<1>}	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:4:3:3:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	111.9665	0.115	2	111.9665	0.013	2	111.9665	0.013	2	111.9665	0.013	2	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	3:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	112.7590	4.626	3	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){5|C<4>,8|H<1>}	112.0660	0.000	1	111.5530	0.526	2	111.5530	0.526	2	112.7590	4.626	3	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){5|C<4>,8|H<1>}	111.0400	0.000	1	111.5530	0.526	2	111.5530	0.526	2	112.7590	4.626	3	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[5,6]-3:N[5,6]-3:C-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3){1|C<3>,3|C<4>,8|H<1>}	111.1300	0.000	1	112.2580	2.545	2	112.2580	2.545	2	112.2580	2.545	2	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:N[5,6]-3:N[5,6]-3:C-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3){1|C<3>,3|C<4>,8|H<1>}	113.3860	0.000	1	112.2580	2.545	2	112.2580	2.545	2	112.2580	2.545	2	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	114.6460	0.494	2	114.6460	0.244	2	112.9569	1.712	11	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	112.0240	0.503	5	112.0240	0.253	5	112.9569	1.712	11	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.1680	0.000	1	112.1680	0.000	1	112.9569	1.712	11	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|I<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	114.4390	0.048	2	114.4390	0.002	2	112.9569	1.712	11	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	112.0680	0.000	1	112.0680	0.000	1	112.9569	1.712	11	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	114.7940	0.000	1	114.7940	0.000	1	112.3640	5.920	3	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	111.1490	1.727	2	111.1490	2.982	2	112.3640	5.920	3	112.8299	2.292	14	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,2|C<3>,2|O<2>,3|C<4>}	111.9750	0.000	1	111.9750	0.000	1	111.5427	1.181	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	111.6990	0.000	1	111.3987	1.646	3	111.5427	1.181	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	112.5050	0.000	1	111.3987	1.646	3	111.5427	1.181	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	109.9920	0.000	1	111.3987	1.646	3	111.5427	1.181	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	112.4790	0.000	1	114.1600	1.366	4	114.0171	1.301	7	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	114.2610	0.000	1	114.1600	1.366	4	114.0171	1.301	7	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	114.9500	0.119	2	114.1600	1.366	4	114.0171	1.301	7	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	112.4460	0.000	1	112.4460	0.000	1	114.0171	1.301	7	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	113.9440	0.000	1	113.9440	0.000	1	114.0171	1.301	7	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	115.0900	0.000	1	115.0900	0.000	1	114.0171	1.301	7	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H){11|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	112.5125	0.564	2	112.5125	0.318	2	112.5125	0.318	2	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){3|H<1>,6|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	117.8730	0.000	1	117.8730	0.000	1	116.1460	5.965	2	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	114.4190	0.000	1	114.4190	0.000	1	116.1460	5.965	2	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	110.4900	0.969	2	109.9763	1.261	3	109.9763	1.261	3	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	108.9490	0.000	1	109.9763	1.261	3	109.9763	1.261	3	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,4|C<4>,6|H<1>}	115.3590	0.000	1	115.9633	2.464	4	115.3000	4.047	5	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	116.1647	1.858	3	115.9633	2.464	4	115.3000	4.047	5	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	112.6470	0.000	1	112.6470	0.000	1	115.3000	4.047	5	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	113.1250	0.000	1	113.1250	0.000	1	112.5940	0.821	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,9|H<1>}	111.2410	0.000	1	112.4170	1.043	3	112.5940	0.821	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	113.0050	0.109	2	112.4170	1.043	3	112.5940	0.821	4	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	112.8750	0.590	2	112.8750	0.348	2	112.8750	0.348	2	113.2988	4.493	30	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:	3:4:2:1:	3:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-2:H-1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH){3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){10|H<1>,1|C<2>,3|C<4>}	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	113.2871	4.759	96	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:2:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:2:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	118.5770	0.000	1	118.5770	0.000	1	118.5770	0.000	1	118.5770	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:2:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C-4:O[6]-2:	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6])	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	116.1830	0.000	1	116.1830	0.000	1	116.6155	0.374	2	116.6155	0.374	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:4:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	117.0480	0.000	1	117.0480	0.000	1	116.6155	0.374	2	116.6155	0.374	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:N[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:4:1:	3:3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:3:3:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:3:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5]){1|S<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	113.7620	0.000	1	113.7620	0.000	1	113.7620	0.000	1	112.5320	1.153	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]O[5])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	112.5320	1.153	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	112.5320	1.153	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:4:1:	3:3:3:3:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:C[6]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<4>,5|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|S<4>,2|C<4>,2|H<1>}	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:2:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,4|C<3>,4|H<1>}	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:4:4:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4: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)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	116.6610	0.000	1	116.6610	0.000	1	115.5975	2.262	2	115.5975	2.262	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:4:4:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4: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)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.5340	0.000	1	114.5340	0.000	1	115.5975	2.262	2	115.5975	2.262	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:2:4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.4150	0.000	1	118.4150	0.000	1	118.4150	0.000	1	118.4150	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	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[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,5|H<1>,6|C<3>}	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	112.6382	4.089	10	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<2>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,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]CH)(H){1|C<4>,3|C<3>,5|H<1>}	111.4005	0.050	2	112.1080	1.438	9	112.1080	1.438	9	112.6382	4.089	10	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	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[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.7310	0.000	2	112.1080	1.438	9	112.1080	1.438	9	112.6382	4.089	10	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	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[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.3370	0.000	1	112.1080	1.438	9	112.1080	1.438	9	112.6382	4.089	10	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,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]CH)(H){2|C<4>,3|C<3>,4|H<1>}	112.3073	2.135	3	112.1080	1.438	9	112.1080	1.438	9	112.6382	4.089	10	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,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]CH)(H){1|C<4>,4|C<3>,4|H<1>}	111.4500	0.000	1	112.1080	1.438	9	112.1080	1.438	9	112.6382	4.089	10	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	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>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	114.8410	0.000	1	113.2077	2.019	3	113.2077	2.019	3	113.2077	2.019	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-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)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	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[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	112.3910	0.188	2	113.2077	2.019	3	113.2077	2.019	3	113.2077	2.019	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir){2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	117.7820	0.000	1	117.7820	0.000	1	119.4660	5.672	2	115.0182	21.575	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	121.1500	0.000	1	121.1500	0.000	1	119.4660	5.672	2	115.0182	21.575	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	111.3530	0.000	1	111.3530	0.000	1	112.0530	7.342	3	115.0182	21.575	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	109.7620	0.000	1	112.4030	13.950	2	112.0530	7.342	3	115.0182	21.575	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	115.0440	0.000	1	112.4030	13.950	2	112.0530	7.342	3	115.0182	21.575	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	C[3,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.5750	0.000	1	118.5750	0.000	1	118.5750	0.000	1	119.7960	2.982	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	119.7960	2.982	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	113.0670	0.027	2	113.0670	0.001	2	113.0670	0.001	2	112.2700	1.906	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	112.2700	1.906	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	108.3477	0.472	15	108.3477	0.223	15	108.3477	0.223	15	108.1941	0.310	18	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	107.4750	0.000	1	107.4260	0.016	3	107.4260	0.016	3	108.1941	0.310	18	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	107.4015	0.168	2	107.4260	0.016	3	107.4260	0.016	3	108.1941	0.310	18	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:3:1:	3:2:4:1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:3:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:3:1:	3:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:4:1:	3:3:4:4:	C[5,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO)	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO){4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	115.0945	0.326	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	115.4980	0.000	1	115.4980	0.000	1	115.4980	0.000	1	115.0945	0.326	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	113.3447	0.259	3	113.3447	0.067	3	113.3447	0.067	3	113.3447	0.067	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	111.6275	0.648	2	111.9113	0.452	3	111.9113	0.452	3	111.9113	0.452	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	112.4790	0.000	1	111.9113	0.452	3	111.9113	0.452	3	111.9113	0.452	3	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	111.0908	9.732	6	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH){1|S<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	111.2760	0.000	1	111.2760	0.000	1	112.0800	0.741	3	111.0908	9.732	6	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	111.9760	0.000	1	111.9760	0.000	1	112.0800	0.741	3	111.0908	9.732	6	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	112.9880	0.000	1	112.9880	0.000	1	112.0800	0.741	3	111.0908	9.732	6	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H)	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	107.4820	0.362	2	107.4820	0.131	2	107.4820	0.131	2	111.0908	9.732	6	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,7|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	111.7640	3.105	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:3:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,4|C<3>,8|H<1>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	111.7640	3.105	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:3:4:	C[5,6]-4:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	111.8952	4.571	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	111.8952	4.571	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.8952	4.571	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	115.4450	0.000	1	115.4450	0.000	1	112.7265	14.780	2	111.8952	4.571	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|S<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	110.0080	0.000	1	110.0080	0.000	1	112.7265	14.780	2	111.8952	4.571	5	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	116.5950	0.000	1	116.5950	0.000	1	115.5295	2.271	2	117.2698	5.493	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	114.4640	0.000	1	114.4640	0.000	1	115.5295	2.271	2	117.2698	5.493	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:4:4:	C[5,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	119.0100	1.447	2	119.0100	2.093	2	119.0100	2.093	2	117.2698	5.493	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	112.9400	3.063	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	112.9400	3.063	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	114.1530	0.000	1	114.1530	0.000	1	114.1530	0.000	1	112.9400	3.063	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	112.9400	3.063	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	113.0670	0.000	1	112.2565	1.314	2	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	111.4460	0.000	1	112.2565	1.314	2	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	110.3840	0.000	1	110.3840	0.000	1	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	111.2360	0.000	1	111.2360	0.000	1	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	111.7070	0.000	1	111.2965	0.337	2	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	110.8860	0.000	1	111.2965	0.337	2	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	112.2630	0.000	1	112.2630	0.000	1	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	112.1610	0.000	1	112.1610	0.000	1	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){1|Al<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	111.4510	0.663	2	111.7093	0.420	3	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	112.2260	0.000	1	111.7093	0.420	3	111.6616	0.590	11	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	112.3756	1.095	5	112.3756	1.198	5	112.3756	1.198	5	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	112.1745	1.450	20	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO){1|C<4>,8|H<1>}	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	109.0995	0.811	6	109.0995	0.658	6	109.0995	0.658	6	109.0995	0.658	6	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,4|H<1>,5|C<4>}	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	111.7385	5.123	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,3|C<4>,6|H<1>}	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	111.7385	5.123	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	114.3640	0.000	1	113.0310	2.449	3	113.0310	2.449	3	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	112.3645	1.494	2	113.0310	2.449	3	113.0310	2.449	3	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	114.9765	0.303	2	114.9765	0.092	2	114.3253	0.310	7	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	114.0648	0.381	5	114.0648	0.145	5	114.3253	0.310	7	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,7|H<1>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	112.2510	1.671	3	112.2510	2.794	3	112.2510	2.794	3	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	111.1220	0.000	1	111.1220	0.000	1	111.8865	1.169	2	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	112.6510	0.000	1	112.6510	0.000	1	111.8865	1.169	2	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,2|S<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	110.6660	0.000	1	110.6660	0.000	1	110.9680	0.182	2	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	111.2700	0.000	1	111.2700	0.000	1	110.9680	0.182	2	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5,6]-4:P[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	116.3750	0.351	2	116.3750	0.123	2	116.3750	0.123	2	113.2408	3.165	21	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:3:2:	C[5,6]-4:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:O-2:	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC)	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC){1|O<2>,2|C<4>,2|O<1>,4|C<3>,4|H<1>}	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	110.2475	1.090	4	110.2475	1.187	4	110.2475	1.187	4	110.2475	1.187	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	112.0430	0.000	1	112.0430	0.000	1	111.0725	1.884	2	111.0725	1.884	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	110.1020	0.000	1	110.1020	0.000	1	111.0725	1.884	2	111.0725	1.884	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:3:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	110.9838	0.325	4	110.9838	0.106	4	110.9838	0.106	4	110.9838	0.106	4	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[3,6]-4:N[5,6]-3:C-3:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	110.3210	1.575	2	110.3210	2.482	2	110.3210	2.482	2	110.3210	2.482	2	112.7861	10.426	177	113.2895	9.886	415
542	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:	4:3:3:1:	3:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	112.7861	10.426	177	113.2895	9.886	415