490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	3:3:3:4:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)3(CClHH)	C(PC[6a]3)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)3(CClHH)	111.2390	1.672	4	111.2390	2.795	4	111.2390	2.795	4	111.2390	2.795	4	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	3:3:4:3:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	C(PC[6a]2C)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	3:3:4:4:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	C(PC[6a]2C)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	3:4:4:1:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)(CClHH)2(O)	C(PC[6a]CO)(Cl)(H)2	Cl(CHHP)	P(C[6a]C[6a]2)(CClHH)2(O)	109.9055	1.524	2	109.9055	2.322	2	109.9055	2.322	2	109.9055	2.322	2	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	4:2:2:1:	P-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(Cl)3	Cl(CCl2P)	P(CCl3)(OCo)2(O)	C(PO3)(Cl)3	Cl(CCl2P)	P(CCl3)(OCo)2(O)	110.1407	1.032	8	110.1407	1.065	8	110.2254	1.005	19	110.2254	1.005	19	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	4:2:2:1:	P-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(Cl)3	Cl(CCl2P)	P(CCl3)(OZn)2(O)	C(PO3)(Cl)3	Cl(CCl2P)	P(CCl3)(OZn)2(O)	110.2870	1.026	11	110.2870	1.053	11	110.2254	1.005	19	110.2254	1.005	19	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	4:2:2:2:	P-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-2:O-2:	C(PO3)(Cl)3	Cl(CCl2P)	P(CCl3)(OZn)3	C(PO3)(Cl)3	Cl(CCl2P)	P(CCl3)(OZn)3	109.8723	2.071	3	109.8723	4.288	3	109.8723	4.288	3	109.8723	4.288	3	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(Cl)(H)2	Cl(CHHP)	P(CClHH)(CH3)3	C(PC3)(Cl)(H)2	Cl(CHHP)	P(CClHH)(CH3)3	111.5330	0.000	1	111.5330	0.000	1	109.8318	3.919	5	109.8318	3.919	5	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(Cl)(H)2	Cl(CHHP)	P(CClHH)4	C(PC3)(Cl)(H)2	Cl(CHHP)	P(CClHH)4	109.4065	2.005	4	109.4065	4.020	4	109.8318	3.919	5	109.8318	3.919	5	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	5:3:3:4:	P-4:Cl-1:H-1:H-1:	C-4:	B[3,3,5,5,6,6]-5:C[6a]-3:C[6a]-3:C-4:	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	P(B[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	P(B[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	112.9940	0.000	1	112.9940	0.000	1	112.9940	0.000	1	112.9940	0.000	1	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:1:1:1:	4:	6:3:3:4:	P-4:Cl-1:H-1:H-1:	C-4:	B[3x3,5x5,6,6]-6:C[6a]-3:C[6a]-3:C-4:	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	P(B[3x3,5x5,6,6]B[3,3,5,5,6,6]B[3x3,4,5x5,6]B[5x3,4,3x5,6]B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	P(B[3x3,5x5,6,6]B[3,3,5,5,6,6]B[3x3,4,5x5,6]B[5x3,4,3x5,6]B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:4:1:1:	4:	3:3:4:1:	C-4:P-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	Cl(CCHP)	P(C[6a]C[6a]2)2(CClCH)(O)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	Cl(CCHP)	P(C[6a]C[6a]2)2(CClCH)(O)	105.9160	0.000	1	105.9160	0.000	1	105.9160	0.000	1	109.6382	6.883	6	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:4:1:1:	4:	3:3:4:1:	P-4:S-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	Cl(CHPS)	P(C[6a]C[6a]2)2(CClHS)(S)	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	Cl(CHPS)	P(C[6a]C[6a]2)2(CClHS)(S)	111.3705	2.822	2	111.3705	7.964	2	111.3705	7.964	2	109.6382	6.883	6	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:4:1:1:	4:	3:3:4:1:	P-4:Si-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Cl(CSiHP)	P(C[6a]C[6a]2)2(CClSiH)(S)	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Cl(CSiHP)	P(C[6a]C[6a]2)2(CClSiH)(S)	108.9730	1.786	2	108.9730	3.190	2	108.9730	3.190	2	109.6382	6.883	6	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:4:1:1:	4:	3:3:4:1:	Si-4:P-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Cl(CSiHP)	P(C[6a]C[6a]2)2(CClSiH)(S)	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Cl(CSiHP)	P(C[6a]C[6a]2)2(CClSiH)(S)	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	109.6382	6.883	6	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:4:1:1:	4:	4:2:1:1:	P-4:P-4:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)2(Cl)2	Cl(CClPP)	P(CCl2P)(OC)(O)2	C(PO3)2(Cl)2	Cl(CClPP)	P(CCl2P)(OC)(O)2	108.8407	0.357	4	108.8407	0.128	4	108.8407	0.128	4	108.8407	0.128	4	110.0973	2.644	50	110.0973	2.644	50
490	790	992	0:SP3_SP-NON_SP3	C	Cl	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:Cl-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HO)(PO3)(Cl)(H)	Cl(CCHP)	P(CClCH)(OC)2(O)	C(CC[6a]HO)(PO3)(Cl)(H)	Cl(CCHP)	P(CClCH)(OC)2(O)	108.4610	0.478	3	108.4610	0.228	3	108.4610	0.228	3	108.4610	0.228	3	110.0973	2.644	50	110.0973	2.644	50
490	811	951	0:SP3_SP-NON_SP3	C	B[6a]	H	4:1:1:1:	3:3:3:4:	4:	B[6a]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(B[6a]C[5,6a]2C[6a])(H)3	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3)	H(CB[6a]HH)	C(B[6a]C[5,6a]2C[6a])(H)3	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	H(CB[6a]HH)	109.4522	0.022	4	109.4522	0.000	4	109.4522	0.000	4	109.4522	0.000	4	108.4524	0.184	33	108.4524	0.184	33
490	811	951	0:SP3_SP-NON_SP3	C	B[6a]	H	4:4:1:1:	3:3:4:4:	4:	B[6a]-4:C-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C-4:	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	H(CB[6a]CH)	108.2537	0.126	3	108.3473	0.021	14	108.3473	0.021	14	108.3145	0.048	29	108.4524	0.184	33	108.4524	0.184	33
490	811	951	0:SP3_SP-NON_SP3	C	B[6a]	H	4:4:1:1:	3:3:4:4:	4:	B[6a]-4:C-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C-4:	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	H(CB[6a]CH)	108.3728	0.145	11	108.3473	0.021	14	108.3473	0.021	14	108.3145	0.048	29	108.4524	0.184	33	108.4524	0.184	33
490	811	951	0:SP3_SP-NON_SP3	C	B[6a]	H	4:4:1:1:	3:3:4:4:	4:	B[6a]-4:C-4:H-1:H-1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C-4:	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	H(CB[6a]CH)	108.5517	0.209	4	108.2839	0.075	15	108.2839	0.075	15	108.3145	0.048	29	108.4524	0.184	33	108.4524	0.184	33
490	811	951	0:SP3_SP-NON_SP3	C	B[6a]	H	4:4:1:1:	3:3:4:4:	4:	B[6a]-4:C-4:H-1:H-1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C-4:	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	H(CB[6a]CH)	108.1865	0.228	11	108.2839	0.075	15	108.2839	0.075	15	108.3145	0.048	29	108.4524	0.184	33	108.4524	0.184	33
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	2:2:4:	2:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	112.3930	0.000	1	113.0105	0.763	2	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	113.6280	0.000	1	113.0105	0.763	2	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	112.9440	0.000	1	112.9440	0.000	1	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	111.8290	0.000	1	111.8290	0.000	1	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	110.2570	0.000	1	110.2570	0.000	1	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	110.8750	0.000	1	110.8750	0.000	1	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	112.7940	0.000	1	112.7940	0.000	1	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	112.0470	1.094	3	112.0470	1.197	3	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	111.7035	0.244	2	111.7035	0.060	2	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	111.7817	0.235	3	111.7817	0.055	3	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	112.0080	0.000	1	112.0080	0.000	1	111.9763	0.769	16	111.9763	0.769	16	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	114.0280	0.000	1	113.0237	1.681	3	113.0237	1.681	3	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	111.5600	0.000	1	113.0237	1.681	3	113.0237	1.681	3	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	113.4830	0.000	1	113.0237	1.681	3	113.0237	1.681	3	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(N[5a]C[5a,6a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH)	C(N[5a]C[5a,6a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH){2|H<1>,4|C<3>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	112.1645	0.039	2	112.1645	0.002	2	112.7897	1.173	3	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	114.0400	0.000	1	114.0400	0.000	1	112.7897	1.173	3	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	112.0640	0.000	1	112.0640	0.000	1	112.2948	1.205	6	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	112.3410	1.221	5	112.3410	1.490	5	112.2948	1.205	6	112.5935	1.079	13	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	111.7270	0.126	2	111.7270	0.016	2	111.7270	0.016	2	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	110.6590	0.000	1	110.6590	0.000	1	111.6938	1.210	9	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	113.4870	0.000	1	113.4870	0.000	1	111.6938	1.210	9	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	112.5900	0.000	1	112.5900	0.000	1	111.6938	1.210	9	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	111.1855	1.843	2	111.1855	3.398	2	111.6938	1.210	9	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	111.5257	0.534	3	111.5257	0.286	3	111.6938	1.210	9	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	111.5600	0.000	1	111.5600	0.000	1	111.6938	1.210	9	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	111.4397	1.262	3	111.3878	0.696	6	111.1165	0.678	32	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	111.3360	0.375	3	111.3878	0.696	6	111.1165	0.678	32	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	111.5415	1.374	2	111.5415	1.888	2	111.1165	0.678	32	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	110.6317	0.917	7	111.0484	0.671	21	111.1165	0.678	32	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	111.2568	0.710	14	111.0484	0.671	21	111.1165	0.678	32	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	110.7673	0.700	3	110.7673	0.490	3	111.1165	0.678	32	111.2670	0.779	44	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:4:2:	3:4:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:C-4:N[5a]-2:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	110.4755	0.076	2	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	3:4:2:	3:4:2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:C-4:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.4755	0.076	2	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	111.3210	0.222	2	111.3210	0.049	2	110.7871	0.383	13	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	111.4515	0.409	2	111.4515	0.168	2	110.7871	0.383	13	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	110.7940	0.146	2	110.7940	0.021	2	110.7871	0.383	13	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	110.4427	0.588	7	110.4427	0.345	7	110.7871	0.383	13	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	111.3940	0.866	3	111.3940	0.750	3	110.4956	1.166	18	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	110.5190	0.000	1	110.3159	1.102	15	110.4956	1.166	18	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	110.3205	0.342	2	110.3159	1.102	15	110.4956	1.166	18	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	110.2982	1.178	12	110.3159	1.102	15	110.4956	1.166	18	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	112.0635	0.839	2	112.0635	0.704	2	112.0635	0.704	2	110.7205	0.908	34	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:3:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	107.5102	0.918	6	107.5102	0.843	6	107.7122	0.561	15	107.7122	0.561	15	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:3:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C(N[5a]C[5a]N[5a])3(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	107.8469	0.636	9	107.8469	0.405	9	107.7122	0.561	15	107.7122	0.561	15	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	108.0178	1.618	12	108.0178	2.619	12	108.7260	2.669	21	108.7260	2.669	21	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	109.6703	1.147	9	109.6703	1.315	9	108.7260	2.669	21	108.7260	2.669	21	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	C(N[5a]C[5a]N[5a])3(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	108.6316	0.784	72	108.6316	0.615	72	108.6316	0.615	72	108.6953	0.707	75	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])3(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	C(N[5a]C[5a]N[5a])3(SO3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	110.2260	0.802	3	110.2260	0.643	3	110.2260	0.643	3	108.6953	0.707	75	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.6730	0.000	1	108.6730	0.000	1	107.4993	1.268	3	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	107.3970	0.000	1	106.9125	0.469	2	107.4993	1.268	3	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	106.4280	0.000	1	106.9125	0.469	2	107.4993	1.268	3	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	107.3280	0.000	1	107.3280	0.000	1	107.0675	0.136	2	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	106.8070	0.000	1	106.8070	0.000	1	107.0675	0.136	2	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	109.8830	0.000	1	109.8830	0.000	1	108.9690	0.684	4	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	109.3160	0.000	1	109.3160	0.000	1	108.9690	0.684	4	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	108.3385	0.548	2	108.3385	0.300	2	108.9690	0.684	4	108.0566	1.368	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	110.7810	0.000	1	110.7810	0.000	1	110.1706	0.205	7	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	109.5490	0.000	1	109.5490	0.000	1	110.1706	0.205	7	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	110.3740	0.000	1	110.3740	0.000	1	110.1706	0.205	7	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	110.4760	0.000	1	110.4760	0.000	1	110.1706	0.205	7	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	109.7980	0.000	2	109.7980	0.000	2	110.1706	0.205	7	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(CHHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CHHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	110.4180	0.000	1	110.4180	0.000	1	110.1706	0.205	7	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	116.6550	0.000	1	116.6550	0.000	1	114.3490	10.635	2	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	112.0430	0.000	1	112.0430	0.000	1	114.3490	10.635	2	111.0991	4.878	9	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	110.9713	0.619	3	110.9713	0.384	3	110.9713	0.384	3	111.3015	0.692	4	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP2_SP2	C	N[5a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	111.3015	0.692	4	109.9528	3.264	244	109.9528	3.264	244
490	813	813	0:SP3_SP3_SP3	C	N[5a]	N[5a]	3:3:3:3:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C-3:C-3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]N[5a])2(CCO)2	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	C(N[5a]C[5a]N[5a])2(CCO)2	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	109.6020	0.081	2	109.6020	0.006	2	109.6020	0.006	2	109.6020	0.006	2	109.6020	0.006	2	109.6020	0.006	2
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	2:2:4:	4:2:2:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:N[5]-2:N[5]-2:	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH)	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH){1|N<3>}	C[5](CN[5a]HH)(N[5]N[5])2	111.0230	1.090	8	111.0230	1.187	8	111.0230	1.187	8	111.0230	1.187	8	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	2:2:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-2:N[5]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[5,6a])2(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C[5](N[5]C[5,6a])2(CN[5a]HH){2|C<3>}	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:N[5]-3:C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CN[5a]HH){2|C<3>}	112.2120	0.141	2	112.2120	0.020	2	112.0843	0.059	3	112.0843	0.059	3	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:N[5]-3:C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C[5](N[5]C[5]Mn)(N[5]C[5]H)(CN[5a]HH){2|C<3>}	111.8290	0.000	1	111.8290	0.000	1	112.0843	0.059	3	112.0843	0.059	3	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:C-4:N[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	111.4860	0.000	1	111.4860	0.000	1	111.9570	1.144	12	111.9570	1.144	12	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:C-4:N[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	112.5620	0.000	1	112.5620	0.000	1	111.9570	1.144	12	111.9570	1.144	12	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:C-4:N[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	111.8468	1.181	9	111.8468	1.394	9	111.9570	1.144	12	111.9570	1.144	12	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:C-4:N[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	112.8150	0.000	1	112.8150	0.000	1	111.9570	1.144	12	111.9570	1.144	12	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	4:2:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N[5]-2:N[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	C[5](CN[5a]HH)(N[5]N[5])2	111.3555	0.842	2	111.3555	0.709	2	111.0625	0.528	4	111.2343	0.925	7	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	4:2:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N[5]-2:N[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C[5](CN[5a]HH)(N[5]N[5])2	110.7695	0.729	2	110.7695	0.531	2	111.0625	0.528	4	111.2343	0.925	7	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	4:2:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N[5]-2:O[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	111.9860	1.433	2	111.9860	2.052	2	111.9860	2.052	2	111.2343	0.925	7	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:2:4:	4:2:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N[5]-2:S[5]-2:	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5]){1|H<1>,1|S<1>}	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	111.2343	0.925	7	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){1|H<1>,3|C<3>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH){1|C<4>}	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	110.3912	0.699	4	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	110.4560	0.000	1	110.4560	0.000	1	110.9045	0.402	2	110.3912	0.699	4	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	111.3530	0.000	1	111.3530	0.000	1	110.9045	0.402	2	110.3912	0.699	4	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C[5](N[5]C[5]Pd)(CN[5a]HH)(O[5]C[5])	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){2|C<3>,2|H<1>}	C[5](N[5]C[5]Pd)(CN[5a]HH)(O[5]C[5]){4|H<1>}	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.3912	0.699	4	111.7034	2.156	38	111.7034	2.156	38
490	813	818	0:SP3_SP2_SP2	C	N[5a]	C[5]	3:3:3:1:	3:4:2:	3:3:4:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	N[5]-3:N[5]-3:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H){2|C<3>}	114.6795	0.159	2	114.6795	0.025	2	114.6795	0.025	2	114.6795	0.025	2	111.7034	2.156	38	111.7034	2.156	38
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:1:1:1:	3:3:4:	4:	N[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH)	F(CN[5a]FH)	C(N[5a]C[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH){1|C<3>}	F(CN[5a]FH)	110.2380	0.093	4	110.2380	0.009	4	110.2380	0.009	4	110.2380	0.009	4	108.9734	1.167	20	108.9734	1.167	20
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	F(CN[5a]CF)	C(N[5a]C[5a]N[5a])(CNO)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	F(CN[5a]CF)	107.8710	1.199	2	107.8710	1.438	2	107.8710	1.438	2	107.8710	1.438	2	108.9734	1.167	20	108.9734	1.167	20
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	F(CN[5a]CF)	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	F(CN[5a]CF)	109.0755	0.141	2	109.0755	0.020	2	108.7696	0.869	14	108.7696	0.869	14	108.9734	1.167	20	108.9734	1.167	20
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF)	F(CN[5a]CF)	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF){1|C<3>}	F(CN[5a]CF)	108.5935	2.129	2	108.5935	4.533	2	108.7696	0.869	14	108.7696	0.869	14	108.9734	1.167	20	108.9734	1.167	20
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CFFS)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	F(CN[5a]CF)	C(N[5a]C[5a]N[5a])(CFFS)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	F(CN[5a]CF)	108.2140	0.092	2	108.2140	0.008	2	108.7696	0.869	14	108.7696	0.869	14	108.9734	1.167	20	108.9734	1.167	20
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	F(CN[5a]CF)	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	F(CN[5a]CF)	108.9818	1.067	4	108.9818	1.139	4	108.7696	0.869	14	108.7696	0.869	14	108.9734	1.167	20	108.9734	1.167	20
490	813	830	0:SP3_SP-NON_SP2	C	N[5a]	F	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	F(CN[5a]CF)	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	F(CN[5a]CF)	108.7703	0.870	4	108.7703	0.757	4	108.7696	0.869	14	108.7696	0.869	14	108.9734	1.167	20	108.9734	1.167	20
490	813	856	0:SP3_SP2_SP2	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	3:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	2:2:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH){1|C<3>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	3:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	112.1357	18.220	7	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	116.8480	0.000	1	116.8480	0.000	1	116.8480	0.000	1	112.1357	18.220	7	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	108.2640	0.000	1	110.5036	15.476	5	110.5036	15.476	5	112.1357	18.220	7	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<4>,4|H<1>}	110.3850	0.000	1	110.5036	15.476	5	110.5036	15.476	5	112.1357	18.220	7	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	111.2897	5.245	3	110.5036	15.476	5	110.5036	15.476	5	112.1357	18.220	7	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	111.6160	0.000	1	111.6160	0.000	1	111.0042	0.367	4	111.0042	0.367	4	111.9885	11.061	13	111.9885	11.061	13
490	813	856	0:SP3_SP2_SP3	C	N[5a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	110.8003	0.549	3	110.8003	0.301	3	111.0042	0.367	4	111.0042	0.367	4	111.9885	11.061	13	111.9885	11.061	13
490	813	880	0:SP3_SP2_SP3	C	N[5a]	Si	3:3:4:1:	3:2:4:	4:3:4:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:C-4:C-4:	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	Si(CN[5a]2H)(NC[6a]H)(CH3)2	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	Si(CN[5a]2H)(NC[6a]H)(CH3)2	114.7240	4.262	2	114.7240	18.168	2	114.7240	18.168	2	114.7240	18.168	2	114.7125	20.316	11	114.7125	20.316	11
490	813	880	0:SP3_SP2_SP3	C	N[5a]	Si	3:3:4:1:	3:2:4:	4:4:4:1:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:Cl-1:	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	Si(CN[5a]2H)(CH3)2(Cl)	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	Si(CN[5a]2H)(CH3)2(Cl)	107.5335	6.508	2	107.5335	42.348	2	107.5335	42.348	2	107.5335	42.348	2	114.7125	20.316	11	114.7125	20.316	11
490	813	880	0:SP3_SP2_SP3	C	N[5a]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	Si(CN[5a]2H)(CH3)3	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	Si(CN[5a]2H)(CH3)3	117.1935	0.683	6	117.1935	0.466	6	117.1935	0.466	6	116.7604	1.701	7	114.7125	20.316	11	114.7125	20.316	11
490	813	880	0:SP3_SP2_SP3	C	N[5a]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	Si(CN[5a]2H)(CH3)3	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	Si(CN[5a]2H)(CH3)3	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	116.7604	1.701	7	114.7125	20.316	11	114.7125	20.316	11
490	813	892	0:SP3_SP2_SP3	C	N[5a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	N[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:In-4:C-4:C-4:	C(N[5a]C[5a,6a]2)(NInCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	N(CN[5a]HH)(InC3)(CH3)2	C(N[5a]C[5a,6a]2)(NInCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	N(CN[5a]HH)(InC3)(CH3)2	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:2:1:1:	2:2:4:	3:4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	O(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|C<3>}	O(C[6a]C[6a]2)(CN[5a]HH)	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:2:1:1:	3:2:4:	3:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	O(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	O(C[6a]C[6a]2)(CN[5a]HH)	106.9967	0.708	3	106.9967	0.502	3	106.9967	0.502	3	106.9967	0.502	3	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:2:1:1:	3:2:4:	4:3:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	O(CN[5a]HH)(CC[6a]O)	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	O(CN[5a]HH)(CC[6a]O)	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.4847	4.963	4	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:2:1:1:	3:2:4:	4:3:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	O(CN[5a]HH)(CCO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	O(CN[5a]HH)(CCO)	112.1130	0.042	2	112.1130	0.002	2	110.5397	7.427	3	110.4847	4.963	4	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:2:1:1:	3:2:4:	4:3:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	O(CN[5a]HH)(CCO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	O(CN[5a]HH)(CCO)	107.3930	0.000	1	107.3930	0.000	1	110.5397	7.427	3	110.4847	4.963	4	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:2:4:1:	3:2:4:	3:4:	N[5a]-3:O-2:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	O(C[6a]C[6a]2)(CN[5a]CH)	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:3:2:1:	3:2:4:	3:4:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	O(C[6a]C[6a]2)(CN[5a]CH)	110.7000	0.000	1	110.7000	0.000	1	110.7690	0.010	2	110.7690	0.010	2	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:3:2:1:	3:2:4:	3:4:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	O(C[6a]C[6a]2)(CN[5a]CH)	110.8380	0.000	1	110.8380	0.000	1	110.7690	0.010	2	110.7690	0.010	2	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:3:2:1:	3:3:4:	4:3:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	O(CC[6a]N[5a]H)(CCO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	O(CC[6a]N[5a]H)(CCO)	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:3:3:2:	3:2:4:	3:4:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	O(C[5a]C[5a]N[5a])(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	O(C[5a]C[5a]N[5a])(CC[6a]2N[5a])	106.9195	0.009	2	106.9195	0.000	2	106.9195	0.000	2	106.9195	0.000	2	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:4:2:1:	2:2:4:	4:3:	N[5a]-3:C-4:O-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	O(CN[5a]CH)(CCO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	O(CN[5a]CH)(CCO)	107.1400	2.864	3	107.1400	8.203	3	107.1988	5.482	4	107.1988	5.482	4	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:4:2:1:	2:2:4:	4:3:	N[5a]-3:C-4:O-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	O(CN[5a]CH)(COO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	O(CN[5a]CH)(COO)	107.3750	0.000	1	107.3750	0.000	1	107.1988	5.482	4	107.1988	5.482	4	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP2	C	N[5a]	O	3:4:2:1:	3:2:4:	4:3:	N[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	O(CN[5a]CH)(COO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	O(CN[5a]CH)(COO)	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	108.6437	4.876	19	108.6437	4.876	19
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:H-1:	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	O(CN[5a]HH)(H)	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	112.4830	0.416	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:H-1:	C(N[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	O(CN[5a]HH)(H)	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	112.4830	0.416	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:H-1:	C(N[5a]C[5a]S[5a])(OH)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a]S[5a])(OH)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	O(CN[5a]HH)(H)	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.4830	0.416	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:3:	N[5a]-3:O-2:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:N-3:	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	O(CN[5a]HH)(NOO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	O(CN[5a]HH)(NOO)	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	110.3010	11.445	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:3:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:	C(N[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	O(CN[5a]HH)(NOO)	C(N[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	O(CN[5a]HH)(NOO)	109.1985	3.949	2	109.1985	15.596	2	109.1985	15.596	2	110.3010	11.445	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	O(CN[5a]HH)(CCHH)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	O(CN[5a]HH)(CCHH)	112.0660	0.000	1	112.0660	0.000	1	112.2790	0.290	3	112.2790	0.290	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:2:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	O(CN[5a]HH)(CCHH)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	O(CN[5a]HH)(CCHH)	112.3855	0.715	2	112.3855	0.511	2	112.2790	0.290	3	112.2790	0.290	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:H-1:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	O(CN[5a]HH)(H)	113.6220	0.000	1	113.6220	0.000	1	111.6265	3.687	6	111.6265	3.687	6	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:H-1:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	O(CN[5a]HH)(H)	111.3920	0.000	1	111.3920	0.000	1	111.6265	3.687	6	111.6265	3.687	6	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:H-1:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	O(CN[5a]HH)(H)	111.9970	0.000	1	111.9970	0.000	1	111.6265	3.687	6	111.6265	3.687	6	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:1:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:H-1:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO)	O(CN[5a]HH)(H)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO){1|C<4>,1|H<1>,2|C<3>}	O(CN[5a]HH)(H)	110.9160	2.524	3	110.9160	6.373	3	111.6265	3.687	6	111.6265	3.687	6	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:3:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:N-3:	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO)	O(CN[5a]HH)(NOO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO){1|C<3>,1|C<4>,1|N<2>}	O(CN[5a]HH)(NOO)	111.6635	0.353	2	111.6635	0.125	2	111.6635	0.125	2	111.6635	0.125	2	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6]C[5a])(OC)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	O(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(OC)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	O(CC[6a]HH)(CN[5a]HH)	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	O(CN[5a]HH)(CH3)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	O(CN[5a]HH)(CH3)	112.1410	0.000	1	112.6010	0.254	4	112.7176	0.258	5	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	O(CN[5a]HH)(CH3)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	O(CN[5a]HH)(CH3)	112.7543	0.489	3	112.6010	0.254	4	112.7176	0.258	5	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	O(CN[5a]HH)(CH3)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(CN[5a]HH)(CH3)	113.1840	0.000	1	113.1840	0.000	1	112.7176	0.258	5	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	O(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	O(CC[6a]HH)(CN[5a]HH)	113.7425	0.214	2	113.5127	0.181	3	111.0711	9.368	10	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	O(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	O(CC[6a]HH)(CN[5a]HH)	113.0530	0.000	1	113.5127	0.181	3	111.0711	9.368	10	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	O(CN[5a]HH)(CFHH)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	O(CN[5a]HH)(CFHH)	108.8890	0.000	1	108.8890	0.000	1	111.0711	9.368	10	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	O(CN[5a]HH)(CCCH)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	O(CN[5a]HH)(CCCH)	106.4315	3.017	2	106.4315	9.104	2	111.0711	9.368	10	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	O(CN[5a]HH)(CCHH)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	O(CN[5a]HH)(CCHH)	112.1052	1.274	4	112.1052	1.624	4	111.0711	9.368	10	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:Si-4:	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	O(CN[5a]HH)(SiC3)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	O(CN[5a]HH)(SiC3)	111.2135	0.653	2	111.2135	0.426	2	111.2135	0.426	2	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO)	O(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO){1|Br<1>,1|H<1>}	O(CC[6a]HH)(CN[5a]HH)	112.1790	0.000	1	112.1790	0.000	1	110.6910	12.690	3	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	O(CN[5a]HH)(CCHH)	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	O(CN[5a]HH)(CCHH)	106.6260	0.000	1	106.6260	0.000	1	110.6910	12.690	3	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	O(CN[5a]HH)(CH3)	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	O(CN[5a]HH)(CH3)	113.2680	0.000	1	113.2680	0.000	1	110.6910	12.690	3	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C-4:	C(N[5a]C[5a]2)(OC[6])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	O(C[6]C[6]2H)(CN[5a]HH)	C(N[5a]C[5a]2)(OC[6])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	O(C[6]C[6]2H)(CN[5a]HH)	111.0915	0.582	2	111.0915	0.339	2	111.0915	0.339	2	111.4491	5.630	23	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:3:2:1:	2:2:4:	4:4:	C[6a]-3:N[5a]-3:O-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:Si-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	O(CC[6a]N[5a]H)(SiC3)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	O(CC[6a]N[5a]H)(SiC3)	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:3:2:1:	3:2:4:	4:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	O(CC[6a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	O(CC[6a]N[5a]H)(CCCH)	110.4738	0.123	5	110.4738	0.015	5	110.4738	0.015	5	110.4738	0.015	5	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:3:2:1:	3:3:4:	4:2:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:O-2:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	O(CN[5a]CH)(OC)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(CN[5a]CH)(OC)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:3:2:1:	3:3:4:	4:4:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	O(CC[6a]HH)(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	O(CC[6a]HH)(CN[5a]CH)	109.8635	0.817	2	109.8635	0.667	2	109.8635	0.667	2	109.7407	0.379	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:3:2:1:	3:3:4:	4:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	O(CC[6a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	O(CC[6a]N[5a]H)(CCCH)	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.7407	0.379	3	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:4:2:1:	3:2:4:	4:4:	N[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:Si-4:	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	O(CN[5a]CH)(SiC3)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	O(CN[5a]CH)(SiC3)	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:4:2:1:	3:3:4:	4:1:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:H-1:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	O(CN[5a]CH)(H)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(CN[5a]CH)(H)	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:4:2:1:	3:3:4:	4:4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	O(CN[5a]CC)(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	O(CN[5a]CC)(CN[5a]CH)	106.8070	0.471	2	106.8070	0.222	2	106.8070	0.222	2	106.8070	0.222	2	110.8941	4.944	56	110.8941	4.944	56
490	813	893	0:SP3_SP2_SP3	C	N[5a]	O	3:4:3:2:	3:3:4:	4:4:	N[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	O(CN[5a]CC)(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	O(CN[5a]CC)(CN[5a]CH)	108.4990	1.027	2	108.4990	1.054	2	108.4990	1.054	2	108.4990	1.054	2	110.8941	4.944	56	110.8941	4.944	56
490	813	909	0:SP3_SP2_SP2	C	N[5a]	S	3:2:1:1:	3:2:4:	3:4:	N[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	S(C[5a]N[5a]2)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	S(C[5a]N[5a]2)(CN[5a]HH)	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	113.6023	1.040	3	112.9070	0.799	7	112.9070	0.799	7
490	813	909	0:SP3_SP2_SP2	C	N[5a]	S	3:2:1:1:	3:2:4:	3:4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	S(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	S(C[6a]C[6a]2)(CN[5a]HH)	114.4990	0.000	1	114.4990	0.000	1	113.4960	2.012	2	113.6023	1.040	3	112.9070	0.799	7	112.9070	0.799	7
490	813	909	0:SP3_SP2_SP2	C	N[5a]	S	3:2:1:1:	3:2:4:	3:4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	S(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	S(C[6a]C[6a]2)(CN[5a]HH)	112.4930	0.000	1	112.4930	0.000	1	113.4960	2.012	2	113.6023	1.040	3	112.9070	0.799	7	112.9070	0.799	7
490	813	909	0:SP3_SP2_SP2	C	N[5a]	S	3:3:2:1:	3:2:4:	3:4:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	S(C[6a]N[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	S(C[6a]N[6a]2)(CN[5a]CH)	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	112.9070	0.799	7	112.9070	0.799	7
490	813	909	0:SP3_SP2_SP2	C	N[5a]	S	3:3:2:1:	3:2:4:	4:3:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	S(CN[5a]CH)(CN[6]S)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	S(CN[5a]CH)(CN[6]S)	112.4340	0.269	3	112.4340	0.072	3	112.4340	0.072	3	112.4340	0.072	3	112.9070	0.799	7	112.9070	0.799	7
490	813	909	0:SP3_SP2_SP3	C	N[5a]	S	3:2:1:1:	2:2:4:	4:4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-4:	C(N[5a]N[5a]2)(SC)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS)	S(CN[5a]HH)(CH3)	C(N[5a]N[5a]2)(SC)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS){1|O<2>}	S(CN[5a]HH)(CH3)	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.6536	2.588	7	113.6536	2.588	7
490	813	909	0:SP3_SP2_SP3	C	N[5a]	S	3:2:1:1:	3:2:4:	4:4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:	C(N[5a]C[5a]N[5a])(SC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	S(CN[5a]HH)(CH3)	C(N[5a]C[5a]N[5a])(SC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	S(CN[5a]HH)(CH3)	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.1600	2.131	3	113.6536	2.588	7	113.6536	2.588	7
490	813	909	0:SP3_SP2_SP3	C	N[5a]	S	3:2:1:1:	3:2:4:	4:4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:P-4:	C(N[5a]C[5a]N[5a])(SP)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS)	S(CN[5a]HH)(POOS)	C(N[5a]C[5a]N[5a])(SP)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS){1|O<2>}	S(CN[5a]HH)(POOS)	113.2075	2.061	2	113.2075	4.249	2	113.2075	4.249	2	113.1600	2.131	3	113.6536	2.588	7	113.6536	2.588	7
490	813	909	0:SP3_SP2_SP3	C	N[5a]	S	3:2:1:1:	3:3:4:	4:4:	N[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS)	S(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS){1|C<4>,1|H<1>,2|C<3>}	S(CC[6a]HH)(CN[5a]HH)	115.4640	0.116	2	115.4640	0.013	2	115.4640	0.013	2	115.4640	0.013	2	113.6536	2.588	7	113.6536	2.588	7
490	813	909	0:SP3_SP2_SP3	C	N[5a]	S	3:4:2:1:	3:3:4:	4:2:	N[5a]-3:C-4:S-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:S-2:	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	S(CN[5a]CH)(SC)	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	S(CN[5a]CH)(SC)	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	113.6536	2.588	7	113.6536	2.588	7
490	813	924	0:SP3_SP-NON_SP2	C	N[5a]	Br	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:Br-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	Br(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	Br(CN[5a]CH)	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	2:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	2:2:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(O)2	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	2:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(CN[5a]HH)(OH)(O)	111.8480	0.000	1	111.8480	0.000	1	112.1910	0.235	2	112.1910	0.235	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	2:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(CN[5a]HH)(OH)(O)	112.5340	0.000	1	112.5340	0.000	1	112.1910	0.235	2	112.1910	0.235	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	2:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(CHH)(H)	111.1210	0.000	1	111.2885	0.056	2	111.2885	0.056	2	111.2885	0.056	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	2:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	C(CN[5a]HH)(CHH)(H)	111.4560	0.000	1	111.2885	0.056	2	111.2885	0.056	2	111.2885	0.056	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:Br-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	C(C[6a]C[6a]2)(CN[5a]BrH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]BrH)(O)	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[6]-3:C-4:O-1:	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[6]C[6]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CN[5a]HH)(O)	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(O)	112.9720	0.512	2	112.9720	0.262	2	112.9720	0.262	2	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	111.8435	1.115	2	111.8435	1.243	2	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.8850	1.138	2	112.8850	1.296	2	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	114.3100	0.000	1	114.3100	0.000	1	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	111.2380	0.000	1	111.2380	0.000	1	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	110.9510	0.573	3	110.9510	0.329	3	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.3460	0.000	1	112.3460	0.000	1	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	111.9000	0.000	1	111.9000	0.000	1	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.4615	0.536	4	112.4615	0.287	4	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.0380	0.000	1	112.0380	0.000	1	112.1243	1.042	16	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5]C[5]N[5])(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CN[5a]HH)(O)	110.9245	1.411	2	110.9245	1.990	2	110.9245	1.990	2	111.9454	1.390	23	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:2:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:N-2:	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	111.4083	0.540	3	111.4083	0.291	3	111.4083	0.291	3	111.4083	0.291	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	3:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5]-3:C-4:C-3:	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5a]HH)(CCH)	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(O)2	113.6530	0.000	1	113.6530	0.000	1	113.6530	0.000	1	112.3517	0.918	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(CN[5a]HH)(O)2	111.3757	0.091	3	111.3757	0.008	3	112.1348	0.707	6	112.3517	0.918	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	112.9910	0.000	1	112.9910	0.000	1	112.1348	0.707	6	112.3517	0.918	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	112.9940	0.000	1	112.9940	0.000	1	112.1348	0.707	6	112.3517	0.918	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(O)2	112.6970	0.000	1	112.6970	0.000	1	112.1348	0.707	6	112.3517	0.918	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	111.6930	0.000	1	111.6930	0.000	1	112.9453	1.841	3	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OH)(O)	112.7560	0.000	1	112.7560	0.000	1	112.9453	1.841	3	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OMn)(O)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OMn)(O)	114.3870	0.000	1	114.3870	0.000	1	112.9453	1.841	3	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(CN[5a]HH)(OC)(O)	111.7040	0.000	1	111.7040	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(CN[5a]HH)(OH)(O)	110.9310	0.000	1	110.9310	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(CN[5a]HH)(OC)(O)	111.3120	0.000	1	111.3120	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(OC)(O)	112.0892	0.439	4	112.0892	0.193	4	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(OH)(O)	112.9510	0.000	1	111.7170	3.046	2	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(CN[5a]HH)(OH)(O)	110.4830	0.000	1	111.7170	3.046	2	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	C(CN[5a]HH)(OC)(O)	111.7830	0.000	1	111.7830	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(OH)(O)	113.4120	0.000	1	113.4120	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(OC)(O)	110.8435	0.974	2	110.8435	0.948	2	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(OC)(O)	112.8400	0.000	1	112.2739	0.750	7	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(CN[5a]HH)(OC)(O)	112.1795	0.909	6	112.2739	0.750	7	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(CN[5a]HH)(OC)(O)	111.9160	0.000	1	111.9160	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OAg)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OAg)(O)	113.8710	0.000	1	113.8710	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	111.2704	0.801	5	111.2704	0.642	5	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	C(CN[5a]HH)(OH)(O)	112.0720	0.000	1	112.0720	0.000	1	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OH)(O)	112.1155	0.494	2	112.1155	0.244	2	111.8993	0.859	30	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]S[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]S[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(CN[5a]HH)(OH)(O)	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	112.0197	0.979	34	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:2:2:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-2:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OFe)2	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(OFe)2	112.8410	1.050	3	112.8410	1.103	3	112.8410	1.103	3	112.8410	1.103	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(CN[5a]FF)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(F)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	C(CN[5a]FF)(NCH)(O)	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	113.8880	0.293	2	112.9868	1.329	10	112.9868	1.329	10	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	113.2125	1.396	4	112.9868	1.329	10	112.9868	1.329	10	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(CN[5a]HH)(CHH)(H)	112.3105	0.888	4	112.9868	1.329	10	112.9868	1.329	10	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(NHN)(O)	111.2760	0.523	4	111.2760	0.274	4	111.2760	0.274	4	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(CN[5a]HH)(CHH)(H)	112.9412	1.484	5	112.9412	2.201	5	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CC[6a]H)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(CN[5a]HH)(CC[6a]H)(H)	110.8475	1.507	2	110.8475	2.271	2	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(CN[5a]HH)(CHH)(H)	111.8870	0.000	1	111.8870	0.000	1	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CC[6a]H)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(CC[6a]H)(H)	112.1803	0.340	6	112.1803	0.116	6	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(CN[5a]HH)(CHH)(H)	112.5835	0.663	2	112.5835	0.439	2	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CHN)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(CHN)(H)	112.1680	0.000	1	112.1680	0.000	1	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	111.6330	0.000	1	111.6330	0.000	1	112.2410	1.128	18	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:I-1:	C(N[5a]C[5a]N[5a])(CCI)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CC[6a]P)(I)	C(N[5a]C[5a]N[5a])(CCI)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(CC[6a]P)(I)	112.9970	0.000	1	112.9970	0.000	1	112.9970	0.000	1	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(CN[5a]HH)(NCH)(O)	110.9050	0.429	3	110.9050	0.184	3	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(CN[5a]HH)(NHN)(O)	111.9287	0.740	3	111.9287	0.548	3	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NC[5a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(CN[5a]HH)(NC[5a]H)(O)	114.2150	0.000	1	114.2150	0.000	1	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(NC[6a]H)(O)	112.6740	0.000	1	112.2590	0.344	2	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(CN[5a]HH)(NC[6a]H)(O)	111.8440	0.000	1	112.2590	0.344	2	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NCH)(O)	114.8897	2.622	3	114.8897	6.876	3	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(CN[5a]HH)(NHN)(O)	107.7130	0.000	1	107.7130	0.000	1	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NC[4]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(NC[4]H)(O)	110.3750	0.000	1	110.3750	0.000	1	112.1422	5.385	14	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]O[5a])(CCH)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]O[5a])(CCH)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	C(CN[5a]HH)(CHH)(H)	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	112.2916	2.332	49	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:2:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-3:O-2:	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CC[6a]O)(OC)	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CC[6a]O)(OC)	113.9220	0.000	1	113.9220	0.000	1	113.9220	0.000	1	113.9220	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:3:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a]N[5a])(CCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(CN[5a]HH)(CCC)(CCH)	C(N[5a]C[5a]N[5a])(CCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(CN[5a]HH)(CCC)(CCH)	111.6600	0.103	2	111.6600	0.011	2	111.6600	0.011	2	112.5377	2.316	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:3:3:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:N-3:	C(N[5a]C[5a]N[5a])(CCN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CCH)(NCC)	C(N[5a]C[5a]N[5a])(CCN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(CN[5a]HH)(CCH)(NCC)	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	112.5377	2.316	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(CC[6a]HO)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(CC[6a]HO)(CN[5a]HH)(O)	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	113.4093	0.008	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	C(CN[5a]HH)(CH3)(O)	C(N[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	C(CN[5a]HH)(CH3)(O)	113.3575	0.022	2	113.3575	0.000	2	113.3575	0.000	2	113.4093	0.008	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:2:4:	4:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-4:C-3:	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(CN[5a]HH)2(CHH)	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)2(CHH)	113.4555	1.404	6	113.4555	1.972	6	113.4555	1.972	6	113.4555	1.972	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	111.8760	0.000	1	111.9270	0.164	3	111.9270	0.164	3	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.3550	0.000	1	111.9270	0.164	3	111.9270	0.164	3	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	111.5500	0.000	1	111.9270	0.164	3	111.9270	0.164	3	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	109.9860	0.000	1	109.9860	0.000	1	112.3703	1.118	10	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.8740	0.000	1	112.8740	0.000	1	112.3703	1.118	10	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	113.1210	0.000	1	113.1210	0.000	1	112.3703	1.118	10	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.1250	0.662	2	112.1250	0.438	2	112.3703	1.118	10	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.8475	0.818	4	112.8475	0.669	4	112.3703	1.118	10	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(O)	112.0820	0.000	1	112.0820	0.000	1	112.3703	1.118	10	112.2680	0.904	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:N-2:	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	112.3602	0.640	4	112.3602	0.409	4	112.3602	0.409	4	112.6362	1.437	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:N-2:	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	112.6362	1.437	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:2:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C-4:N-2:	C(N[5a]C[5a]2)(CC[6a]N)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	112.6362	1.437	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	3:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6]-3:C-4:C-3:	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(C[6]C[6]2)(CN[5a]HH)(CHH)	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CN[5a]HH)(CHH)	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(CN[5a]HH)(H)2	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	114.3169	2.842	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	C(CN[5a]HH)(O)2	112.9280	0.264	2	112.9280	0.070	2	113.5498	1.396	5	114.3169	2.842	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(O)2	113.9643	1.454	3	113.9643	2.113	3	113.5498	1.396	5	114.3169	2.842	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-1:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(CN[5a]HH)(O)2	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(CN[5a]HH)(O)2	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	114.3169	2.842	7	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6]C[5a])(COO)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6]C[5a])(COO)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(CN[5a]HH)(OC)(O)	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(CN[5a]HH)(OC)(O)	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)(OC)(O)	116.0720	0.000	1	116.0720	0.000	1	115.1250	1.184	4	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)(OCu)(O)	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)(OCu)(O)	115.4325	0.161	2	115.4325	0.026	2	115.1250	1.184	4	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)(OH)(O)	113.5630	0.000	1	113.5630	0.000	1	115.1250	1.184	4	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(CN[5a]HH)(OC)(O)	112.1400	0.000	1	112.1400	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(CN[5a]HH)(OC)(O)	115.1820	0.000	1	115.1820	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[5a]HH)(OC)(O)	111.6240	0.000	1	111.6240	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	111.9930	0.000	1	111.9930	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	C(CN[5a]HH)(OH)(O)	110.7830	0.000	1	110.7830	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	C(CN[5a]HH)(OC)(O)	115.0720	0.000	1	112.4892	3.368	4	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	111.0070	0.000	1	112.4892	3.368	4	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(CN[5a]HH)(OC)(O)	111.3780	0.000	1	112.4892	3.368	4	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	C(CN[5a]HH)(OC)(O)	112.5000	0.000	1	112.4892	3.368	4	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	C(CN[5a]HH)(OH)(O)	112.7120	0.000	1	112.7120	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	111.6280	0.000	1	112.1150	0.474	2	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(CN[5a]HH)(OC)(O)	112.6020	0.000	1	112.1150	0.474	2	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	113.1830	0.000	1	113.1830	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OH)(O)	112.7160	0.000	1	112.7160	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(CN[5a]HH)(OZn)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OZn)(O)	114.3340	0.000	1	114.3340	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|Cl<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	112.4430	0.000	1	112.2230	0.226	3	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	112.1130	0.617	2	112.2230	0.226	3	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OH)(O)	113.6300	0.000	1	113.6300	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	C(CN[5a]HH)(OC)(O)	112.1340	1.065	2	112.1340	1.134	2	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(CN[5a]HH)(OC)(O)	111.3868	1.136	9	111.3868	1.290	9	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OCo)(O)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(CN[5a]HH)(OCo)(O)	115.2120	0.000	1	115.2120	0.000	1	112.2940	1.899	31	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(CN[5a]HH)(OC)(O)	114.3310	0.000	1	114.3310	0.000	1	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	C(CN[5a]HH)(OH)(O)	113.3770	2.225	3	113.3770	4.948	3	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(OC)(O)	111.5738	0.724	5	111.8426	0.453	9	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Mn<5>,1|C<3>}	C(CN[5a]HH)(OC)(O)	111.4910	0.000	1	111.8426	0.453	9	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(CN[5a]HH)(OC)(O)	112.4077	0.199	3	111.8426	0.453	9	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(OC)(O)	113.1880	0.000	1	113.1880	0.000	1	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	C(CN[5a]HH)(OH)(O)	109.5220	0.000	1	109.5220	0.000	1	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(CN[5a]HH)(OC)(O)	110.2927	1.074	3	110.2927	1.153	3	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(CN[5a]HH)(OC)(O)	111.4330	0.000	1	111.4330	0.000	1	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(CN[5a]HH)(OH)(O)	112.1830	0.427	2	112.1830	0.182	2	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(CN[5a]HH)(OH)(O)	111.3031	0.752	14	111.3031	0.565	14	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	C(CN[5a]HH)(OH)(O)	110.6090	0.000	1	110.6090	0.000	1	111.6468	1.589	36	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C(CN[5a]HH)(OC)(O)	114.1760	0.000	1	114.1760	0.000	1	114.1760	0.000	1	112.1662	2.274	74	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:2:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-2:O-2:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(NC)(OC)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(CN[5a]HH)(NC)(OC)	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(CN[5a]HH)(CHH)(H)	112.8820	0.455	2	112.8820	0.207	2	112.8820	0.207	2	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	C(CN[5a]HH)(CHH)(H)	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(CN[5a]HH)(CHH)(H)	113.6640	0.000	1	113.6640	0.000	1	113.6640	0.000	1	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C(CN[5a]HH)(CCC)(H)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(CN[5a]HH)(CCC)(H)	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(CN[5a]HH)(CHH)(H)	112.9000	0.000	1	112.9000	0.000	1	113.6123	0.432	3	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)(CHH)(H)	113.9685	0.322	2	113.9685	0.104	2	113.6123	0.432	3	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	C(CN[5a]HH)(CHH)(H)	112.5610	1.923	2	112.5610	3.699	2	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	C(CN[5a]HH)(CHH)(H)	115.1420	0.000	1	115.1420	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	113.6560	0.532	4	113.8083	0.282	6	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	C(CN[5a]HH)(CHH)(H)	114.1130	0.532	2	113.8083	0.282	6	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	115.6610	0.000	1	115.6610	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	C(CN[5a]HH)(CHH)(H)	113.2110	0.000	1	113.2110	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	113.2110	0.000	1	113.2110	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[5a]HH)(CHH)(H)	111.0980	1.014	2	111.0980	1.028	2	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	111.9978	1.330	5	111.9978	1.770	5	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(CCH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CCH)(H)	112.2540	1.382	2	112.2540	1.909	2	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(CN[5a]HH)(CHH)(H)	114.0730	0.000	1	113.0225	0.950	8	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	112.9678	1.035	5	113.0225	0.950	8	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	C(CN[5a]HH)(CHH)(H)	112.6340	0.973	2	113.0225	0.950	8	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	112.0330	0.000	1	112.0330	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CCC)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CCC)(H)	110.5980	0.000	1	110.5980	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	113.1530	0.000	1	113.1530	0.000	1	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	114.0360	0.000	1	113.3575	0.921	2	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	112.6790	0.000	1	113.3575	0.921	2	112.8991	1.781	34	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C(CN[5a]HH)(NC[6a]C)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(CN[5a]HH)(NC[6a]C)(O)	110.9750	0.000	1	110.9750	0.000	1	111.6750	1.873	3	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)(NCH)(O)	110.7980	0.000	1	112.0250	3.011	2	111.6750	1.873	3	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	C(CN[5a]HH)(NCH)(O)	113.2520	0.000	1	112.0250	3.011	2	111.6750	1.873	3	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:Br-1:	C(N[5a]C[5a]2)(CBrC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C(CN[5a]HH)(CBrH)(Br)	C(N[5a]C[5a]2)(CBrC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	C(CN[5a]HH)(CBrH)(Br)	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]C)2(CCHH)	C(CN[5a]HH)(CC[6a]H)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	C(CN[5a]HH)(CC[6a]H)(H)	113.8400	0.000	1	113.8400	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]C)2(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	C(CN[5a]HH)(CHH)(H)	112.6500	0.000	1	112.6500	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|S<2>}	C(CN[5a]HH)(CHH)(H)	112.2820	0.000	1	112.2820	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5a]HH)(CHH)(H)	113.3360	0.000	1	113.3360	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	C(CN[5a]HH)(CHH)(H)	112.8530	0.000	1	112.8530	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	C(CN[5a]HH)(CHH)(H)	109.0840	0.000	1	109.0840	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	C(CN[5a]HH)(CHH)(H)	110.1850	0.000	1	110.1850	0.000	1	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	C(CN[5a]HH)(CHH)(H)	114.1262	1.453	8	114.1262	2.112	8	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C(CN[5a]HH)(CHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	C(CN[5a]HH)(CHH)(H)	113.2105	0.988	4	113.2105	0.975	4	113.1622	2.904	19	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)2(CCHH)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	C(CN[5a]HH)(NCH)(O)	116.8640	0.000	1	116.8640	0.000	1	111.5035	4.829	12	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	C(CN[5a]HH)(NHN)(O)	109.9947	1.761	4	109.9947	3.101	4	111.5035	4.829	12	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(NC[6a]C)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(CN[5a]HH)(NC[6a]C)(O)	111.5710	0.000	1	111.5710	0.000	1	111.5035	4.829	12	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(CN[5a]HH)(NHN)(O)	111.2520	1.352	2	111.2520	1.828	2	111.5035	4.829	12	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	C(CN[5a]HH)(NCH)(O)	112.1017	1.111	3	112.1017	1.235	3	111.5035	4.829	12	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(CN[5a]HH)(NHN)(O)	110.8190	0.000	1	110.8190	0.000	1	111.5035	4.829	12	112.7393	2.653	77	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CC[6a]H)(COO)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CC[6a]H)(COO)	111.9730	0.000	1	111.9730	0.000	1	112.2405	0.143	2	112.2405	0.143	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:3:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CC[6a]H)(COO)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]HH)(CC[6a]H)(COO)	112.5080	0.000	1	112.5080	0.000	1	112.2405	0.143	2	112.2405	0.143	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:H-1:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(CCHH)(H)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	C(CN[5a]HH)(CCHH)(H)	100.2930	0.000	1	100.2930	0.000	1	100.2930	0.000	1	109.9896	30.233	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(CH3)(O)	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	C(CN[5a]HH)(CH3)(O)	111.6475	0.177	2	111.6475	0.032	2	112.4137	1.134	4	109.9896	30.233	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(CH3)(O)	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(CN[5a]HH)(CH3)(O)	112.4650	0.000	1	112.4650	0.000	1	112.4137	1.134	4	109.9896	30.233	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)(CH3)(O)	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	C(CN[5a]HH)(CH3)(O)	113.8950	0.000	1	113.8950	0.000	1	112.4137	1.134	4	109.9896	30.233	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:2:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:N-2:	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C(CN[5a]HH)(CH3)(NN)	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	C(CN[5a]HH)(CH3)(NN)	114.0505	0.243	2	114.0505	0.059	2	113.5758	0.232	5	113.5758	0.232	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:2:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-4:N-2:	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)(CN[6]HH)(NN)	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	C(CN[5a]HH)(CN[6]HH)(NN)	113.2593	0.244	3	113.2593	0.060	3	113.5758	0.232	5	113.5758	0.232	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:C-4:C-3:	C(N[5a]C[5a,6a]2)(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C(CN[5a]HH)2(CHH)	C(N[5a]C[5a,6a]2)(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CN[5a]HH)2(CHH)	113.9135	1.225	8	113.9135	1.499	8	113.9135	1.499	8	113.3297	1.877	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:C-3:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	C(CN[5a]HH)2(CHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5a]HH)2(CHH)	111.8137	0.922	3	111.8137	0.851	3	112.0302	0.755	4	113.3297	1.877	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-4:C-3:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C(CN[5a]HH)2(CHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C(CN[5a]HH)2(CHH)	112.6800	0.000	1	112.6800	0.000	1	112.0302	0.755	4	113.3297	1.877	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6]-4:C-4:C-3:	C(N[5a]C[5a]2)(CC[6]C)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	C(N[5a]C[5a]2)(CC[6]C)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	113.3297	1.877	13	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]B[5a]C[5a])(COO)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]B[5a]C[5a])(COO)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	C(CN[5a]HH)(OC)(O)	113.0670	0.000	1	113.0670	0.000	1	113.5715	0.509	2	113.5715	0.509	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]B[5a]C[5a])(COO)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	C(CN[5a]HH)(OH)(O)	C(N[5a]B[5a]C[5a])(COO)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	C(CN[5a]HH)(OH)(O)	114.0760	0.000	1	114.0760	0.000	1	113.5715	0.509	2	113.5715	0.509	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:2:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	110.2108	0.213	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:2:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HS)(O)	110.4733	0.330	3	110.4733	0.109	3	110.3695	0.116	4	110.2108	0.213	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:2:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]HS)(O)	110.0580	0.000	1	110.0580	0.000	1	110.3695	0.116	4	110.2108	0.213	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:2:1:	3:2:4:	4:4:1:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(C[5]C[5]2Fe)(CN[5a]HO)(O)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(C[5]C[5]2Fe)(CN[5a]HO)(O)	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:2:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C(CN[5a]HO)(CCC)(H)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(CN[5a]HO)(CCC)(H)	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	110.2787	5.339	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:2:1:	3:3:4:	4:3:1:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C(CN[5a]HO)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	C(CN[5a]HO)(CHH)(H)	109.0905	1.486	2	109.0905	2.207	2	109.0905	2.207	2	110.2787	5.339	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	2:2:4:	4:3:1:	C[6a]-3:N[5a]-3:C-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-3:F-1:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(CC[6a]N[5a]H)(CC[6a]H)(F)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(CC[6a]N[5a]H)(CC[6a]H)(F)	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	108.6643	1.934	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	2:2:4:	4:3:1:	C[6a]-3:N[5a]-3:C-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH)	C(CC[6a]N[5a]H)(NCS)(O)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH){2|C<3>}	C(CC[6a]N[5a]H)(NCS)(O)	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	108.6643	1.934	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	2:2:4:	4:3:1:	N[5a]-3:C-3:N-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:C-3:I-1:	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](N[5a]C[5a])2(CCHN)	C(CN[5a]HN)(CHH)(I)	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	C(CN[5a]HN)(CHH)(I)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	108.6643	1.934	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	3:4:1:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]CH)(O)	111.9800	0.722	4	111.9800	0.522	4	111.9800	0.522	4	111.7080	1.276	8	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	3:4:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5a]2H)(O)	112.6880	0.697	2	112.6880	0.486	2	112.6880	0.486	2	111.7080	1.276	8	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	3:4:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]2H)(O)	110.1840	0.132	2	110.1840	0.017	2	110.1840	0.017	2	111.7080	1.276	8	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:2:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(CN[5a]2H)(OCu)(O)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]2H)(OCu)(O)	111.7300	2.903	2	111.7300	8.430	2	111.0867	4.739	12	111.0867	4.739	12	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:2:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(CN[5a]2H)(OH)(O)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]2H)(OH)(O)	111.3570	1.710	2	111.3570	2.923	2	111.0867	4.739	12	111.0867	4.739	12	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:2:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	C(CN[5a]2H)(OH)(O)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	C(CN[5a]2H)(OH)(O)	110.9222	2.771	6	110.9222	7.678	6	111.0867	4.739	12	111.0867	4.739	12	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:2:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	C(CN[5a]2H)(OC)(O)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	C(CN[5a]2H)(OC)(O)	110.6670	0.946	2	110.6670	0.895	2	111.0867	4.739	12	111.0867	4.739	12	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:2:2:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-2:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(CN[5a]N[5]H)(OLi)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5a]N[5]H)(OLi)2	111.8660	0.272	2	111.8660	0.074	2	111.8660	0.074	2	111.8660	0.074	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:N-3:S-1:	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(CN[5a]CH)(NC[6a]H)(S)	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:S-1:	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(CN[5a]CH)(NC[6a]H)(S)	109.1350	0.000	1	109.1350	0.000	1	109.5856	0.127	5	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:S-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(CN[5a]CH)(NC[6a]H)(S)	109.6983	0.290	4	109.6983	0.084	4	109.5856	0.127	5	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-3:F-1:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(CC[6a]N[5a]H)(CC[6a]H)(F)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(CC[6a]N[5a]H)(CC[6a]H)(F)	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-3:F-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(CC[6a]N[5a]H)(CC[6a]H)(F)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(CC[6a]N[5a]H)(CC[6a]H)(F)	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C[6a]-3:O-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:S-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(CN[5a]N[5]H)(NC[6a]Al)(S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5a]N[5]H)(NC[6a]Al)(S)	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(CN[5a]2H)(NCH)(O)	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]2H)(NCH)(O)	113.2725	1.643	2	113.2725	2.698	2	113.2725	2.698	2	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:S-1:	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(CN[5a]2H)(NCH)(S)	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]2H)(NCH)(S)	112.2325	5.031	2	112.2325	25.312	2	112.2325	25.312	2	110.9726	4.601	14	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:3:2:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:N-2:	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(CN[5a]2H)(NCC)(NH)	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]2H)(NCC)(NH)	113.2485	0.494	2	113.2485	0.244	2	113.2485	0.244	2	113.2485	0.244	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:4:1:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(CC3)(O)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(CN[5a]CH)(CC3)(O)	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	110.1760	3.287	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:2:4:	4:4:1:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(CN[5a]CH)(CC3)(O)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(CN[5a]CH)(CC3)(O)	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	110.1760	3.287	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C(CN[5a]CH)(OC)(O)	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	C(CN[5a]CH)(OC)(O)	111.6695	0.127	2	111.6695	0.016	2	111.6695	0.016	2	111.6695	0.016	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C(CC[6a]N[5a]H)(CC[6a]H)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	C(CC[6a]N[5a]H)(CC[6a]H)(H)	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.5160	0.828	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5a]-3:N-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:I-1:	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C(CN[5a]HN)(CHH)(I)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	C(CN[5a]HN)(CHH)(I)	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	111.5160	0.828	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5a]-3:N-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:I-1:	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	C(CN[5a]HN)(CHH)(I)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	C(CN[5a]HN)(CHH)(I)	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	111.5160	0.828	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	C(CC[6a]N[5a]H)(CCO)(CHH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	C(CC[6a]N[5a]H)(CCO)(CHH)	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	3:4:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(C[6a]C[6a]2)(CN[5a]CH)(O)	109.3800	0.808	2	109.3800	0.652	2	109.3800	0.652	2	109.3800	0.652	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:2:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(OC)(O)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(OC)(O)	108.5060	0.000	1	108.5060	0.000	1	109.0590	0.612	2	109.0590	0.612	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:2:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(OH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(OH)(O)	109.6120	0.000	1	109.6120	0.000	1	109.0590	0.612	2	109.0590	0.612	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(NCH)(O)	109.5610	0.000	1	109.5610	0.000	1	108.5556	0.715	9	108.5556	0.715	9	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	C(CN[5a]CH)(NCH)(O)	109.5440	0.000	1	109.5440	0.000	1	108.5556	0.715	9	108.5556	0.715	9	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	C(CN[5a]CH)(NCH)(O)	108.7350	0.000	1	108.7350	0.000	1	108.5556	0.715	9	108.5556	0.715	9	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:3:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	C(CN[5a]CH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	C(CN[5a]CH)(NC[6a]H)(O)	108.1933	0.763	6	108.1933	0.583	6	108.5556	0.715	9	108.5556	0.715	9	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:4:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(CN[5a]CH)(CC3)(O)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(CN[5a]CH)(CC3)(O)	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:2:4:	4:4:3:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:S-4:C-3:	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C(CN[5a]CH)(SC[6a]OO)(CCH)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C(CN[5a]CH)(SC[6a]OO)(CCH)	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	3:4:1:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:O-1:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C(C[5a]C[5a]O[5a])(CN[5a]CH)(O)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CN[5a]CH)(O)	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(CCHH)(COO)(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH)	C(CN[5a]CH)(OC)(O)	C(N[5a]C[5a]2)(CCHH)(COO)(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	C(CN[5a]CH)(OC)(O)	111.7935	1.150	2	111.7935	1.324	2	111.7935	1.324	2	111.7935	1.324	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	C(CN[5a]CH)(NC[6a]H)(O)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	C(CN[5a]CH)(NC[6a]H)(O)	112.3250	0.000	1	112.3250	0.000	1	112.3087	1.114	3	112.3087	1.114	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:N-3:O-1:	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH){1|H<1>,1|N<3>}	C(CN[5a]CH)(NCH)(O)	112.3005	1.493	2	112.3005	2.228	2	112.3087	1.114	3	112.3087	1.114	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:3:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(CN[5a]CH)(CCH)(CCO)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]CH)(CCH)(CCO)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	110.7723	2.412	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:3:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(CN[5a]CH)(CC[6a]H)(COO)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(CN[5a]CH)(CC[6a]H)(COO)	109.3455	0.834	2	109.3455	0.695	2	110.7088	2.984	5	110.7723	2.412	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:3:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	113.4500	0.000	1	113.4500	0.000	1	110.7088	2.984	5	110.7723	2.412	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:3:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C(CN[5a]CH)(CC[6a]H)(COO)	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	C(CN[5a]CH)(CC[6a]H)(COO)	110.7015	0.103	2	110.7015	0.011	2	110.7088	2.984	5	110.7723	2.412	6	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5a]-3:C-4:C-3:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C(CN[5a]CH)(OC)(O)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	C(CN[5a]CH)(OC)(O)	108.2470	1.222	2	108.2470	1.493	2	109.0873	2.865	3	109.0873	2.865	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5a]-3:C-4:C-3:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C(CN[5a]CH)(OC)(O)	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	C(CN[5a]CH)(OC)(O)	110.7680	0.000	1	110.7680	0.000	1	109.0873	2.865	3	109.0873	2.865	3	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:3:2:	3:3:4:	4:2:1:	N[5a]-3:C-4:C-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C(CN[5a]CO)(OC)(O)	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	C(CN[5a]CO)(OC)(O)	111.1410	0.949	2	111.1410	0.900	2	111.1410	0.900	2	111.1410	0.900	2	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:4:3:	3:3:4:	4:2:1:	N[5a]-3:C-4:C-4:C-3:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C(CN[5a]CC)(OC)(O)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	C(CN[5a]CC)(OC)(O)	110.4930	0.890	3	110.4930	0.792	3	110.0486	0.859	5	110.0486	0.859	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:4:3:	3:3:4:	4:2:1:	N[5a]-3:C-4:C-4:C-3:	C[5a]-3:C[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3)	C(CN[5a]CC)(OC)(O)	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3){1|H<1>}	C(CN[5a]CC)(OC)(O)	109.3820	0.610	2	109.3820	0.372	2	110.0486	0.859	5	110.0486	0.859	5	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP2	C	N[5a]	C	3:4:4:3:	3:3:4:	4:3:1:	N[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C(CN[5a]CC)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]CC)(CHH)(H)	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	112.0010	3.364	441	112.0010	3.364	441
490	813	930	0:SP3_SP2_SP3	C	N[5a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C(CN[5a]HH)(OC)(O)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C(CN[5a]HH)(OC)(O)	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	109.3982	2.217	10	109.3982	2.217	10
490	813	930	0:SP3_SP2_SP3	C	N[5a]	C	3:3:3:3:	3:3:4:	4:4:1:	N[5a]-3:N[5a]-3:C-3:C-3:	N[5a]-3:C[5a]-3:C-4:	C-4:C-4:O-1:	C(N[5a]C[5a]N[5a])2(CCO)2	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	C(CN[5a]2C)(CH3)(O)	C(N[5a]C[5a]N[5a])2(CCO)2	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	C(CN[5a]2C)(CH3)(O)	108.8414	0.916	8	108.8414	0.840	8	108.8414	0.840	8	108.8414	0.840	8	109.3982	2.217	10	109.3982	2.217	10
490	813	930	0:SP3_SP2_SP3	C	N[5a]	C	3:4:3:1:	3:3:4:	4:3:3:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C(CN[5a]CH)(CCH)(CCO)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5a]CH)(CCH)(CCO)	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	109.3982	2.217	10	109.3982	2.217	10
490	813	945	0:SP3_SP2_SP3	C	N[5a]	P	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	P(C[6a]C[6a]2)2(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CN[5a]HH)	112.1710	0.632	2	112.1710	0.400	2	112.1710	0.400	2	112.1710	0.400	2	111.6161	10.054	21	111.6161	10.054	21
490	813	945	0:SP3_SP2_SP3	C	N[5a]	P	3:3:1:1:	3:3:4:	4:4:4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	P(CN[5a]HH)(CCCH)2	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(CN[5a]HH)(CCCH)2	114.5335	0.431	2	114.5335	0.185	2	114.5335	0.185	2	113.2087	2.720	4	111.6161	10.054	21	111.6161	10.054	21
490	813	945	0:SP3_SP2_SP3	C	N[5a]	P	3:3:1:1:	3:3:4:	4:4:4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	P(C[6]C[6]2H)2(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(C[6]C[6]2H)2(CN[5a]HH)	111.8840	0.977	2	111.8840	0.955	2	111.8840	0.955	2	113.2087	2.720	4	111.6161	10.054	21	111.6161	10.054	21
490	813	945	0:SP3_SP2_SP3	C	N[5a]	P	3:3:3:3:	3:2:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])3(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	P(C[6a]C[6a]2)2(CN[5a]3)	C(N[5a]C[5a]N[5a])3(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	P(C[6a]C[6a]2)2(CN[5a]3)	110.9790	4.096	9	110.9790	16.776	9	110.9790	16.776	9	110.9790	16.776	9	111.6161	10.054	21	111.6161	10.054	21
490	813	945	0:SP3_SP2_SP3	C	N[5a]	P	3:3:3:3:	3:2:4:	4:4:4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	P(CN[5a]3)(CCCH)2	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	P(CN[5a]3)(CCCH)2	111.1990	3.474	3	111.1990	12.072	3	111.3252	8.677	6	111.3252	8.677	6	111.6161	10.054	21	111.6161	10.054	21
490	813	945	0:SP3_SP2_SP3	C	N[5a]	P	3:3:3:3:	3:2:4:	4:4:4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C-4:C-4:	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	P(CN[5a]3)(CCHH)2	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	P(CN[5a]3)(CCHH)2	111.4513	3.094	3	111.4513	9.573	3	111.3252	8.677	6	111.3252	8.677	6	111.6161	10.054	21	111.6161	10.054	21
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a,6a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a,6a])2(CH3){1|C<3>,1|N<2>}	H(CN[5a]HH)	109.4700	0.044	3	109.4614	0.001	5	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a,6a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a,6a])2(CH3){2|C<3>}	H(CN[5a]HH)	109.4485	0.028	2	109.4614	0.001	5	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	H(CN[5a]HH)	109.4679	0.035	14	109.0230	1.650	56	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<1>}	H(CN[5a]HH)	109.4740	0.029	3	109.0230	1.650	56	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<2>}	H(CN[5a]HH)	108.7164	1.359	21	109.0230	1.650	56	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	H(CN[5a]HH)	108.9597	1.688	18	109.0230	1.650	56	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4873	0.041	3	109.4927	0.003	23	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|N<3>}	H(CN[5a]HH)	109.4603	0.040	3	109.4927	0.003	23	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	H(CN[5a]HH)	109.4878	0.039	11	109.4927	0.003	23	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3){2|N<3>}	H(CN[5a]HH)	109.4893	0.039	3	109.4927	0.003	23	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	2:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3)	H(CN[5a]HH)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a])2(CH3){2|P<4>}	H(CN[5a]HH)	109.5520	0.134	3	109.4927	0.003	23	109.1777	1.143	84	109.1777	1.143	84	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	H(CN[5a]ClH)	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	H(CN[5a]ClH)	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	H(CN[5a]HH)	109.4680	0.039	3	109.4680	0.002	3	109.4684	0.001	5	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	H(CN[5a]HH)	109.4690	0.007	2	109.4690	0.000	2	109.4684	0.001	5	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	H(CN[5a]HH)	109.4699	0.015	16	109.4699	0.000	16	109.2937	0.207	40	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CN[5a]HH)	109.4718	0.047	11	109.1256	0.364	20	109.2937	0.207	40	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<2>,3|C<3>}	H(CN[5a]HH)	109.4387	0.020	3	109.1256	0.364	20	109.2937	0.207	40	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,1|O<1>,2|N<2>}	H(CN[5a]HH)	108.3343	0.552	6	109.1256	0.364	20	109.2937	0.207	40	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3){3|C<3>}	H(CN[5a]HH)	109.4292	0.046	4	109.4292	0.002	4	109.2937	0.207	40	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	H(CN[5a]HH)	109.4643	0.022	3	109.4643	0.000	3	109.4799	0.046	15	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	H(CN[5a]HH)	109.4863	0.010	3	109.4863	0.000	3	109.4799	0.046	15	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CN[5a]HH)	109.4583	0.022	3	109.4762	0.001	6	109.4799	0.046	15	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	H(CN[5a]HH)	109.4940	0.034	3	109.4762	0.001	6	109.4799	0.046	15	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3){1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4963	0.565	3	109.4963	0.319	3	109.4799	0.046	15	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4507	0.042	3	109.4507	0.002	3	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4914	0.037	5	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4692	0.034	9	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5a]HH)	109.4747	0.041	6	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4658	0.044	16	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4630	0.023	3	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4606	0.033	8	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4847	0.041	24	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	H(CN[5a]HH)	109.4590	0.011	3	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4693	0.015	7	109.4734	0.001	81	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	110.7840	10.475	6	110.7840	109.722	6	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4568	0.025	5	109.4568	0.001	5	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CN[5a]HH)	109.5060	0.057	3	109.4697	1.089	43	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4815	0.005	2	109.4697	1.089	43	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	H(CN[5a]HH)	109.4617	0.041	7	109.4697	1.089	43	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.6058	1.257	17	109.4697	1.089	43	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	H(CN[5a]HH)	109.2989	1.232	14	109.4697	1.089	43	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	H(CN[5a]HH)	109.5090	0.011	2	109.5090	0.000	2	109.5279	4.348	140	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	H(CN[5a]HH)	109.1607	0.129	3	109.1607	0.017	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4750	0.018	6	109.4671	0.001	9	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){2|C<4>}	H(CN[5a]HH)	109.4513	0.037	3	109.4671	0.001	9	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	H(CN[5a]HH)	109.4897	0.046	3	109.4897	0.002	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	H(CN[5a]HH)	109.1735	0.841	15	109.2540	0.512	21	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	H(CN[5a]HH)	109.4552	0.019	6	109.2540	0.512	21	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	H(CN[5a]HH)	109.4895	0.030	2	109.4860	0.000	7	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(CN[5a]HH)	109.4770	0.018	2	109.4860	0.000	7	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CN[5a]HH)	109.4897	0.021	3	109.4860	0.000	7	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|O<2>}	H(CN[5a]HH)	109.4685	0.021	2	109.4685	0.000	2	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	H(CN[5a]HH)	109.4530	0.014	3	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	H(CN[5a]HH)	109.4693	0.029	3	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4755	0.008	2	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4823	0.029	23	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	H(CN[5a]HH)	110.5363	5.385	23	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	H(CN[5a]HH)	109.4779	0.023	9	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	H(CN[5a]HH)	109.4738	0.189	6	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	H(CN[5a]HH)	109.4743	0.267	6	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	H(CN[5a]HH)	109.4670	0.064	5	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	H(CN[5a]HH)	109.4545	0.023	2	109.7729	8.114	82	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>}	H(CN[5a]HH)	109.4823	0.038	3	109.4823	0.001	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3){2|C<4>,3|H<1>}	H(CN[5a]HH)	109.4870	0.038	3	109.4870	0.001	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4505	0.016	2	109.4674	0.001	9	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4702	0.026	5	109.4674	0.001	9	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4775	0.016	2	109.4674	0.001	9	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	H(CN[5a]HH)	109.4565	0.013	2	109.4565	0.000	2	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4689	0.031	8	109.4689	0.001	8	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.8195	0.420	6	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4774	0.035	11	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	H(CN[5a]HH)	109.4493	0.031	3	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	H(CN[5a]HH)	109.4623	0.016	3	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	H(CN[5a]HH)	109.4852	0.042	11	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	H(CN[5a]HH)	109.4722	0.025	6	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	H(CN[5a]HH)	109.4840	0.000	1	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	H(CN[5a]HH)	110.6334	3.586	8	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Os<7>,1|C<3>}	H(CN[5a]HH)	109.4955	0.006	2	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	H(CN[5a]HH)	109.4700	0.011	2	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	H(CN[5a]HH)	109.5693	0.163	6	109.6775	1.726	59	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>}	H(CN[5a]HH)	109.5003	0.017	3	109.5003	0.000	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|N<3>}	H(CN[5a]HH)	109.5060	0.012	3	109.5060	0.000	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4840	0.025	20	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4890	0.006	2	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	H(CN[5a]HH)	109.4670	0.008	2	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	H(CN[5a]HH)	109.4614	0.020	10	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	H(CN[5a]HH)	109.8930	1.270	3	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	H(CN[5a]HH)	109.4797	0.018	3	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){2|N<3>}	H(CN[5a]HH)	109.4704	0.032	5	109.5039	0.085	45	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]HH)	109.4625	0.011	2	109.4625	0.000	2	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|S<2>,2|C<4>}	H(CN[5a]HH)	109.4755	0.018	2	109.4755	0.000	2	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Ni)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Ni)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	H(CN[5a]HH)	112.5537	0.944	3	112.5537	0.891	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4683	0.026	54	109.4714	0.001	58	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){2|C<4>}	H(CN[5a]HH)	109.5130	0.036	4	109.4714	0.001	58	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4502	0.035	6	109.4700	0.001	23	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4771	0.031	17	109.4700	0.001	23	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	H(CN[5a]HH)	108.6117	1.114	3	108.6117	1.241	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){2|C<3>}	H(CN[5a]HH)	109.4710	0.000	1	109.4710	0.000	1	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	110.4747	0.372	3	110.4747	0.138	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>}	H(CN[5a]HH)	109.1085	1.452	6	109.1085	2.109	6	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	H(CN[5a]HH)	109.4675	0.011	2	109.4675	0.000	2	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	109.4376	1.535	26	109.4376	2.356	26	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3){1|N<3>}	H(CN[5a]HH)	107.7273	1.006	3	107.7273	1.013	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3){1|C<3>}	H(CN[5a]HH)	109.4605	0.025	6	109.4605	0.001	6	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	H(CN[5a]HH)	109.3812	0.515	36	109.3812	0.266	36	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	H(CN[5a]HH)	109.4650	0.011	3	109.4650	0.000	3	109.5424	2.077	439	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(N[5a]C[5a]O[5a])(H)3	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]O[5a])(H)3	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	H(CN[5a]HH)	109.4620	0.028	5	109.4620	0.001	5	109.4620	0.001	5	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(N[5a]C[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	H(CN[5a]HH)	109.4533	0.036	3	109.4676	0.001	8	109.4676	0.001	8	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(N[5a]C[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|Cl<1>,1|H<1>}	H(CN[5a]HH)	109.4762	0.033	5	109.4676	0.001	8	109.4676	0.001	8	109.5202	2.339	653	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH)	H(CN[5a]FF)	C(N[5a]C[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH){1|C<3>}	H(CN[5a]FF)	110.0635	0.340	2	110.0635	0.116	2	110.0635	0.116	2	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	B[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3){1|N<3>,3|C<3>}	H(CN[5a]HH)	105.6095	5.490	3	105.6095	30.139	3	105.6095	30.139	3	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4617	0.047	3	109.4769	0.003	23	109.4710	0.002	28	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4690	0.007	2	109.4769	0.003	23	109.4710	0.002	28	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4803	0.055	18	109.4769	0.003	23	109.4710	0.002	28	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4436	0.040	5	109.4436	0.002	5	109.4710	0.002	28	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5,5a]C[5a])(H)3	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5,5a]C[5a])(H)3	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	108.0263	1.013	3	108.0263	1.026	3	108.0263	1.026	3	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]HH)	109.4795	0.032	4	109.4795	0.001	4	109.4746	0.001	34	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(CN[5a]HH)	109.4680	0.065	5	109.4680	0.004	5	109.4746	0.001	34	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4774	0.043	5	109.4774	0.002	5	109.4746	0.001	34	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4700	0.030	15	109.4700	0.001	15	109.4746	0.001	34	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a,6a])(H)3	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4886	0.040	5	109.4886	0.002	5	109.4746	0.001	34	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.7853	1.202	3	109.7853	1.446	3	109.5147	0.159	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(CN[5a]HH)	109.4900	0.000	1	109.4594	0.001	7	109.5147	0.159	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CN[5a]HH)	109.4543	0.037	6	109.4594	0.001	7	109.5147	0.159	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4830	0.049	5	109.4830	0.002	5	109.5147	0.159	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4555	0.071	2	109.4555	0.005	2	109.5147	0.159	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,5a]C[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4775	0.018	4	109.4775	0.000	4	109.5147	0.159	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6,6]C[5a,6a])(H)3	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6,6]C[5a,6a])(H)3	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3){2|C<3>,2|H<1>,3|C<4>}	H(CN[5a]HH)	109.4493	0.033	3	109.4493	0.001	3	109.4493	0.001	3	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6,6]C[5a])(H)3	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6,6]C[5a])(H)3	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	H(CN[5a]HH)	108.9547	4.245	3	108.9547	18.018	3	108.9547	18.018	3	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5a]HH)	109.4748	0.029	9	109.4694	0.001	24	109.4694	0.001	24	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]HH)	109.4707	0.050	3	109.4694	0.001	24	109.4694	0.001	24	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(CN[5a]HH)	109.4640	0.034	5	109.4694	0.001	24	109.4694	0.001	24	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6,6a]C[5a])(H)3	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4659	0.037	7	109.4694	0.001	24	109.4694	0.001	24	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	H(CN[5a]HH)	109.4880	0.011	2	109.4880	0.000	2	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.5117	0.034	3	109.4950	0.002	6	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4783	0.043	3	109.4950	0.002	6	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){2|C<4>,3|H<1>}	H(CN[5a]HH)	109.4760	0.019	3	109.4760	0.000	3	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,6|C<3>}	H(CN[5a]HH)	109.4623	0.035	3	109.4623	0.001	3	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CN[5a]HH)	109.4860	0.029	3	109.4665	0.001	12	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4557	0.013	3	109.4665	0.001	12	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CN[5a]HH)	109.4622	0.027	6	109.4665	0.001	12	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4609	0.036	8	109.4609	0.001	8	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	H(CN[5a]HH)	110.4390	1.777	3	109.8284	1.159	8	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	H(CN[5a]HH)	109.4620	0.042	5	109.8284	1.159	8	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4733	0.024	3	109.4692	0.001	6	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){2|C<3>}	H(CN[5a]HH)	109.4650	0.027	3	109.4692	0.001	6	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	H(CN[5a]HH)	109.4877	0.020	3	109.4716	0.001	7	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4595	0.026	4	109.4716	0.001	7	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<2>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4825	0.011	2	109.4597	0.001	14	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4520	0.035	6	109.4597	0.001	14	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|I<1>,3|C<3>}	H(CN[5a]HH)	109.4697	0.027	3	109.4597	0.001	14	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|Rh<6>,3|C<3>}	H(CN[5a]HH)	109.4500	0.059	3	109.4597	0.001	14	109.5105	0.134	69	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a,6a]C[5a])(H)3	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a,6a]C[5a])(H)3	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4690	0.031	6	109.4690	0.001	6	109.4690	0.001	6	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(CN[5a]HH)	109.4673	0.014	4	109.4673	0.000	4	109.4700	0.001	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5a]HH)	109.4525	0.018	2	109.4525	0.000	2	109.4700	0.001	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4762	0.021	5	109.4762	0.000	5	109.4700	0.001	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4710	0.006	2	109.4710	0.000	2	109.4700	0.001	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4722	0.039	6	109.4722	0.002	6	109.4700	0.001	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4700	0.008	2	109.4700	0.000	2	109.4700	0.001	21	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	H(CN[5a]HH)	110.6085	1.627	6	110.6085	2.648	6	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(CN[5a]HH)	112.9083	1.690	3	110.2057	2.586	14	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	H(CN[5a]HH)	109.4567	0.040	6	110.2057	2.586	14	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	H(CN[5a]HH)	109.4620	0.037	2	110.2057	2.586	14	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4970	0.025	3	110.2057	2.586	14	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4723	0.029	3	109.4723	0.001	3	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.5032	0.063	5	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CN[5a]HH)	109.4713	0.033	3	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4670	0.016	4	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5a]HH)	109.4347	0.026	3	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	H(CN[5a]HH)	109.4217	0.038	3	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	H(CN[5a]HH)	109.4703	0.039	3	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[5a]HH)	109.4780	0.000	1	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4623	0.032	3	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|H<1>,4|C<3>}	H(CN[5a]HH)	109.4740	0.000	1	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4767	0.021	3	109.4671	0.002	29	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4413	0.015	3	109.4413	0.000	3	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3){1|H<1>,1|O<1>,5|C<3>}	H(CN[5a]HH)	109.4914	0.050	5	109.4914	0.003	5	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5,5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4747	0.043	3	109.4747	0.002	3	109.7413	0.930	63	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4833	0.039	3	109.4833	0.002	3	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.4760	0.024	8	109.4760	0.001	8	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	H(CN[5a]HH)	109.4930	0.027	3	109.4641	0.002	18	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5a]HH)	109.4583	0.043	15	109.4641	0.002	18	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(CN[5a]HH)	109.4773	0.035	3	109.6703	0.160	29	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<3>,4|C<4>}	H(CN[5a]HH)	109.4487	0.018	3	109.6703	0.160	29	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5a]HH)	109.4933	0.019	3	109.6703	0.160	29	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.7591	0.457	20	109.6703	0.160	29	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CN[5a]HH)	109.4673	0.016	3	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(CN[5a]HH)	109.4590	0.037	3	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CN[5a]HH)	109.4877	0.024	9	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4703	0.039	14	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4463	0.033	3	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CN[5a]HH)	109.4716	0.027	9	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.4410	0.037	3	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]HH)	109.4562	0.056	6	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CN[5a]HH)	109.4978	0.042	5	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4645	0.012	2	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[5a]HH)	109.4595	0.057	2	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.4584	0.023	9	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4647	0.012	3	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,4|C<3>}	H(CN[5a]HH)	109.4510	0.011	2	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[5a]HH)	109.4687	0.022	13	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	H(CN[5a]HH)	109.4869	0.053	8	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.5063	0.013	3	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	H(CN[5a]HH)	109.4690	0.022	5	109.4706	0.001	102	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3){1|B<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	H(CN[5a]HH)	109.4460	0.023	2	109.4460	0.001	2	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4967	0.047	3	109.4852	0.001	6	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4737	0.028	3	109.4852	0.001	6	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4628	0.037	6	109.4682	0.001	17	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4712	0.027	11	109.4682	0.001	17	109.5017	0.031	185	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4553	0.022	3	109.4553	0.000	3	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4543	0.046	3	109.4543	0.002	3	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.8149	1.524	18	109.8149	2.322	18	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]HH)	109.4488	0.021	5	109.4603	0.001	13	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4675	0.029	8	109.4603	0.001	13	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]HH)	109.4749	0.030	20	109.4749	0.002	39	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4731	0.043	15	109.4749	0.002	39	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4813	0.092	4	109.4749	0.002	39	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4695	0.032	2	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4953	0.036	3	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]HH)	109.4813	0.043	3	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4757	0.030	15	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CN[5a]HH)	109.4740	0.019	3	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CN[5a]HH)	109.4676	0.033	8	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CN[5a]HH)	109.4646	0.027	8	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CN[5a]HH)	109.4696	0.028	8	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4873	0.046	52	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4588	0.054	4	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	H(CN[5a]HH)	109.5262	0.271	121	109.5043	0.040	227	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CN[5a]HH)	109.4537	0.040	3	109.4537	0.002	3	109.5155	0.165	306	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4750	0.008	2	109.4750	0.000	2	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	108.9457	2.403	6	108.9457	5.773	6	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	H(CN[5a]HH)	109.4923	0.031	3	109.4923	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	H(CN[5a]HH)	109.4587	0.021	3	109.4587	0.000	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]HH)	109.4727	0.022	3	109.4689	0.000	14	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	H(CN[5a]HH)	109.4737	0.016	6	109.4689	0.000	14	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4583	0.023	3	109.4689	0.000	14	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	H(CN[5a]HH)	109.4645	0.040	2	109.4689	0.000	14	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	H(CN[5a]HH)	109.4625	0.019	6	109.4625	0.000	6	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	H(CN[5a]HH)	109.4863	0.022	3	109.4863	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3){1|C<4>,3|C<3>}	H(CN[5a]HH)	109.4874	0.032	5	109.4874	0.001	5	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4472	0.029	4	109.4685	0.001	12	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CN[5a]HH)	109.5150	0.013	3	109.4685	0.001	12	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	H(CN[5a]HH)	109.4576	0.031	5	109.4685	0.001	12	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4432	0.019	5	109.4534	0.001	8	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4703	0.023	3	109.4534	0.001	8	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4732	0.024	14	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.5199	0.947	74	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|I<1>,2|C<3>}	H(CN[5a]HH)	109.6033	0.117	3	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.7255	1.507	16	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(CN[5a]HH)	109.4681	0.029	22	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|S<3>,2|C<3>}	H(CN[5a]HH)	109.4880	0.022	3	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4696	0.038	73	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4824	0.027	23	109.5073	0.444	228	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[5a]HH)	109.4743	0.007	3	109.4743	0.000	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[5a]HH)	109.4485	0.013	2	109.4594	0.000	5	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){3|H<1>,4|C<3>}	H(CN[5a]HH)	109.4667	0.025	3	109.4594	0.000	5	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4887	0.010	3	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4720	0.024	10	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4720	0.004	2	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CN[5a]HH)	109.7862	1.664	15	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4712	0.022	26	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4708	0.037	5	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	H(CN[5a]HH)	109.4789	0.022	20	109.5322	0.500	81	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4500	0.025	4	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4740	0.029	3	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.5341	0.881	284	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.6640	0.450	6	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4573	0.014	3	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CN[5a]HH)	109.4677	0.040	3	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4717	0.037	200	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	H(CN[5a]HH)	109.4772	0.038	6	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4602	0.027	18	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4720	0.014	3	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4933	0.302	22	109.5062	0.405	552	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4657	0.050	8	109.4657	0.002	8	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4613	0.065	10	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4839	0.044	8	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4739	0.046	11	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,3|C<3>}	H(CN[5a]HH)	109.4720	0.007	2	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4916	0.027	8	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4933	0.024	8	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CN[5a]HH)	109.4795	0.019	4	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4665	0.029	18	109.4759	0.002	69	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	H(CN[5a]HH)	111.8015	2.768	2	109.8342	1.444	13	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5a]HH)	109.4787	0.504	3	109.8342	1.444	13	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4746	0.041	5	109.8342	1.444	13	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<2>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4777	0.020	3	109.8342	1.444	13	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.4590	0.013	3	109.4590	0.000	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.5083	0.023	3	109.5083	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4517	0.034	6	109.4602	0.001	9	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4773	0.034	3	109.4602	0.001	9	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4597	0.030	3	109.4597	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4787	0.022	7	109.4787	0.000	7	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4658	0.032	17	109.4658	0.001	17	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]HH)	109.4842	0.021	14	109.4800	0.001	64	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	H(CN[5a]HH)	109.4737	0.009	3	109.4800	0.001	64	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4804	0.030	40	109.4800	0.001	64	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	H(CN[5a]HH)	109.4721	0.016	7	109.4800	0.001	64	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4757	0.031	30	109.4780	0.001	35	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<1>,2|N<3>}	H(CN[5a]HH)	109.4895	0.022	2	109.4780	0.001	35	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	H(CN[5a]HH)	109.4930	0.038	3	109.4780	0.001	35	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(CN[5a]HH)	109.4657	0.018	3	109.4657	0.000	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4735	0.041	6	109.5263	0.015	16	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.5580	0.146	10	109.5263	0.015	16	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	H(CN[5a]HH)	109.4710	0.026	5	109.4388	0.528	329	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4873	0.012	3	109.4388	0.528	329	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5a]HH)	110.2943	1.257	3	109.4388	0.528	329	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4672	0.027	25	109.4388	0.528	329	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	H(CN[5a]HH)	109.4263	0.761	291	109.4388	0.528	329	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	H(CN[5a]HH)	109.4710	0.006	2	109.4388	0.528	329	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4462	0.104	5	109.4462	0.011	5	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CN[5a]HH)	109.4666	0.026	5	109.5321	0.534	43	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.6339	1.176	17	109.5321	0.534	43	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|F<1>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4697	0.015	6	109.5321	0.534	43	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4617	0.027	12	109.5321	0.534	43	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4703	0.021	3	109.5321	0.534	43	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4957	0.027	3	109.4957	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4680	0.011	2	109.4680	0.000	2	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4744	0.052	13	109.4744	0.003	13	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4825	0.028	2	109.4825	0.001	2	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4447	0.011	3	109.4447	0.000	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]HH)	109.4680	0.017	2	109.4680	0.000	2	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	H(CN[5a]HH)	109.5413	6.114	3	109.5413	37.378	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]HH)	109.2717	1.247	6	109.3693	0.718	12	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	H(CN[5a]HH)	109.4670	0.035	6	109.3693	0.718	12	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[5a]HH)	111.0477	2.734	3	109.9185	2.022	11	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	H(CN[5a]HH)	109.5054	0.036	5	109.9185	2.022	11	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){3|C<3>}	H(CN[5a]HH)	109.4777	0.013	3	109.9185	2.022	11	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3){4|C<3>}	H(CN[5a]HH)	109.4684	0.029	8	109.4684	0.001	8	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	H(CN[5a]HH)	111.7210	2.415	3	109.6781	1.527	25	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	H(CN[5a]HH)	109.3995	0.716	22	109.6781	1.527	25	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	H(CN[5a]HH)	109.4780	0.027	5	109.4746	0.001	8	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4690	0.023	3	109.4746	0.001	8	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pt)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pt)(CH3){2|C<3>}	H(CN[5a]HH)	109.4693	0.023	3	109.4693	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5a]HH)	109.4690	0.043	3	109.4674	0.001	31	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5a]HH)	109.4537	0.047	4	109.4674	0.001	31	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(CN[5a]HH)	109.4768	0.028	12	109.4674	0.001	31	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|P<3>}	H(CN[5a]HH)	109.4680	0.029	3	109.4674	0.001	31	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(CN[5a]HH)	109.4565	0.048	6	109.4674	0.001	31	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5a]HH)	109.4670	0.023	3	109.4674	0.001	31	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3){1|H<1>,3|C<3>}	H(CN[5a]HH)	109.4443	0.031	3	109.4443	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4617	0.024	3	109.4617	0.001	3	109.4928	0.446	1690	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3){3|C<4>}	H(CN[5a]HH)	109.5127	0.036	3	109.5127	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3){2|S<2>}	H(CN[5a]HH)	109.4930	0.024	3	109.4930	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5,5a]I)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5,5a]I)2(CH3){2|S<2>}	H(CN[5a]HH)	109.4323	0.041	3	109.4323	0.002	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	H(CN[5a]HH)	109.4437	0.086	3	109.4437	0.007	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,5a]H)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,5a]H)2(CH3){2|C<3>}	H(CN[5a]HH)	109.4467	0.036	3	109.4467	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6]C)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6]C)2(CH3){2|C<3>}	H(CN[5a]HH)	109.4550	0.014	2	109.4550	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6]H)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6]H)2(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4980	0.033	2	109.4980	0.001	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6a]C)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6a]C)2(CH3){2|C<3>}	H(CN[5a]HH)	109.4760	0.000	1	109.4760	0.000	1	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a,6a]O)2(CH3){2|C<3>}	H(CN[5a]HH)	109.7163	1.810	3	109.7163	3.277	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[5a]HH)	109.4263	0.020	3	109.4263	0.000	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[5a]HH)	109.4683	0.030	11	109.4622	0.001	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(CN[5a]HH)	109.4400	0.059	3	109.4622	0.001	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	H(CN[5a]HH)	109.4910	0.030	3	109.4910	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	H(CN[5a]HH)	109.4608	0.046	4	109.4699	0.001	7	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<4>,3|C<3>}	H(CN[5a]HH)	109.4820	0.027	3	109.4699	0.001	7	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3){1|Br<1>,1|H<1>}	H(CN[5a]HH)	109.4755	0.014	6	109.4755	0.000	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3){1|Br<1>}	H(CN[5a]HH)	109.4900	0.035	6	109.4900	0.001	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3){1|Br<1>}	H(CN[5a]HH)	109.4806	0.038	5	109.4806	0.001	5	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>}	H(CN[5a]HH)	109.4513	0.019	3	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>}	H(CN[5a]HH)	109.4773	0.032	3	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4995	0.028	2	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4757	0.036	15	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	H(CN[5a]HH)	109.4662	0.037	49	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Ir<8>,1|H<1>}	H(CN[5a]HH)	109.4781	0.031	8	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	H(CN[5a]HH)	109.5880	2.794	123	109.5414	4.718	203	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	H(CN[5a]HH)	109.4692	0.033	12	109.4692	0.001	12	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<2>}	H(CN[5a]HH)	109.4655	0.028	13	109.4557	0.151	33	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	H(CN[5a]HH)	109.4226	0.730	10	109.4557	0.151	33	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	H(CN[5a]HH)	109.4760	0.033	10	109.4557	0.151	33	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	H(CN[5a]HH)	109.4745	0.006	2	109.4745	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)2(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4674	0.045	8	109.4666	0.009	35	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	H(CN[5a]HH)	109.4915	0.006	2	109.4666	0.009	35	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	H(CN[5a]HH)	109.4644	0.112	25	109.4666	0.009	35	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	H(CN[5a]HH)	109.4515	0.032	2	109.4515	0.001	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CN[5a]HH)	109.4583	0.073	3	110.1001	6.145	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CN[5a]HH)	109.4245	0.319	15	110.1001	6.145	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4777	0.027	3	110.1001	6.145	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CN[5a]HH)	115.6760	4.958	3	110.1001	6.145	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.1670	1.420	3	110.1001	6.145	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[5a]HH)	109.6670	0.902	3	109.5121	0.133	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CN[5a]HH)	109.4697	0.032	3	109.5121	0.133	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5a]HH)	109.4523	0.043	3	109.5121	0.133	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4806	0.042	5	109.5121	0.133	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	H(CN[5a]HH)	109.4630	0.027	3	109.4630	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	H(CN[5a]HH)	109.4877	0.032	9	109.4877	0.001	9	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(CN[5a]HH)	109.6882	1.347	11	109.6419	1.404	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	H(CN[5a]HH)	109.4723	0.033	3	109.6419	1.404	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4633	0.026	3	109.4633	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	H(CN[5a]HH)	109.4863	0.034	3	109.4863	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	H(CN[5a]HH)	109.4616	0.428	16	109.4616	0.183	16	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4473	0.041	3	109.3539	0.136	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	H(CN[5a]HH)	109.3285	0.416	11	109.3539	0.136	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4720	0.025	2	109.4698	0.000	4	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	H(CN[5a]HH)	109.4675	0.009	2	109.4698	0.000	4	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|C<4>,2|C<3>}	H(CN[5a]HH)	109.4685	0.019	2	108.8221	1.831	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	108.7144	1.441	12	108.8221	1.831	14	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3){3|C<3>}	H(CN[5a]HH)	109.4490	0.049	3	109.4490	0.002	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4825	0.032	2	109.4825	0.001	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3){1|N<3>}	H(CN[5a]HH)	108.6433	1.131	3	108.6433	1.279	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)2(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	109.4690	0.028	5	109.4627	0.001	10	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]Cl)2(CH3){2|S<2>}	H(CN[5a]HH)	109.4564	0.042	5	109.4627	0.001	10	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	H(CN[5a]HH)	109.4747	0.029	11	109.4509	0.569	16	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|N<3>}	H(CN[5a]HH)	109.3986	1.458	5	109.4509	0.569	16	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3){2|H<1>}	H(CN[5a]HH)	109.4970	0.037	6	109.4970	0.001	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[5a]HH)	109.4603	0.036	3	109.4603	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	H(CN[5a]HH)	109.5160	0.572	201	109.5125	0.307	214	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	H(CN[5a]HH)	109.4568	0.023	13	109.5125	0.307	214	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	H(CN[5a]HH)	109.4758	0.230	24	109.4766	0.047	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	H(CN[5a]HH)	109.4827	0.020	3	109.4766	0.047	27	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Cd<4>,1|O<1>}	H(CN[5a]HH)	107.9883	3.049	3	108.7325	4.383	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	H(CN[5a]HH)	109.4767	0.028	3	108.7325	4.383	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>}	H(CN[5a]HH)	109.4965	0.016	2	109.8040	1.306	5	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|N<3>}	H(CN[5a]HH)	110.0090	1.566	3	109.8040	1.306	5	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	H(CN[5a]HH)	109.2031	1.277	21	109.2376	1.427	24	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|H<1>}	H(CN[5a]HH)	109.4793	0.012	3	109.2376	1.427	24	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	H(CN[5a]HH)	109.4703	0.037	26	109.4745	0.001	30	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|I<1>}	H(CN[5a]HH)	109.5018	0.045	4	109.4745	0.001	30	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	H(CN[5a]HH)	108.8115	1.580	6	109.0262	1.664	9	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	H(CN[5a]HH)	109.4557	0.026	3	109.0262	1.664	9	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	H(CN[5a]HH)	109.4745	0.072	8	109.4745	0.005	8	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]I)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]I)2(CH3){2|S<2>}	H(CN[5a]HH)	109.4857	0.060	6	109.4857	0.004	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	H(CN[5a]HH)	109.4765	0.021	13	109.4765	0.000	13	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	H(CN[5a]HH)	109.4764	0.022	11	109.4723	0.001	19	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|H<1>}	H(CN[5a]HH)	109.4575	0.021	2	109.4723	0.001	19	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	H(CN[5a]HH)	109.4698	0.040	6	109.4723	0.001	19	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|C<4>,1|O<1>}	H(CN[5a]HH)	109.4900	0.020	2	111.2188	26.875	5	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|H<1>}	H(CN[5a]HH)	112.3713	6.983	3	111.2188	26.875	5	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N)2(CH3){2|N<3>}	H(CN[5a]HH)	109.4815	0.021	2	109.4815	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CN[5a]HH)	109.4520	0.025	3	108.7852	14.443	15	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]HH)	107.8313	4.341	9	108.7852	14.443	15	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	H(CN[5a]HH)	110.9800	3.707	3	108.7852	14.443	15	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]HH)	107.9225	4.297	6	107.9225	18.466	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3){1|N<3>,2|C<4>}	H(CN[5a]HH)	109.1193	2.293	12	109.1193	5.258	12	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3){1|C<4>,1|N<2>}	H(CN[5a]HH)	109.4797	0.021	3	109.4797	0.000	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	H(CN[5a]HH)	109.4680	0.017	4	109.4680	0.000	4	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3){1|C<3>}	H(CN[5a]HH)	109.4582	0.022	6	109.4582	0.000	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	H(CN[5a]HH)	109.4703	0.045	13	109.4703	0.002	13	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3){1|N<3>}	H(CN[5a]HH)	109.4585	0.015	2	109.4585	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>}	H(CN[5a]HH)	109.4635	0.015	2	109.4635	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	H(CN[5a]HH)	109.4687	0.020	3	109.4687	0.000	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|N<2>,2|C<3>}	H(CN[5a]HH)	109.4940	0.019	3	109.4827	0.001	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	H(CN[5a]HH)	109.4713	0.023	3	109.4827	0.001	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[5a]HH)	109.8393	1.874	6	109.8393	3.513	6	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,2|C<3>}	H(CN[5a]HH)	108.4028	2.245	6	108.7571	3.433	9	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){3|C<3>}	H(CN[5a]HH)	109.4657	0.044	3	108.7571	3.433	9	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])2(CH3){4|C<3>}	H(CN[5a]HH)	109.4640	0.007	2	109.4640	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[4,5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[4,5a]O)2(CH3){2|C<4>}	H(CN[5a]HH)	108.7943	1.050	3	108.7943	1.102	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[4a,5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[4a,5a]O)2(CH3){2|C<3>}	H(CN[5a]HH)	108.8430	0.117	2	108.8430	0.014	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5,5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5,5a]O)2(CH3){2|C<4>}	H(CN[5a]HH)	110.6145	5.373	2	110.6145	28.872	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a,6,6]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a,6,6]O)2(CH3){2|C<4>}	H(CN[5a]HH)	109.4725	0.033	2	109.4725	0.001	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3){1|B<4>,3|C<3>}	H(CN[5a]HH)	109.4775	0.006	2	109.4775	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a,6]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a,6]O)2(CH3){2|C<4>}	H(CN[5a]HH)	109.4630	0.030	3	109.4630	0.001	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|H<1>}	H(CN[5a]HH)	109.4840	0.016	3	109.4840	0.000	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]C)2(CH3)	H(CN[5a]HH)	109.4815	0.013	2	109.4815	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	H(CN[5a]HH)	109.4725	0.021	2	109.4725	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3){1|N<3>}	H(CN[5a]HH)	109.7145	3.804	2	109.7145	14.467	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	H(CN[5a]HH)	109.4480	0.060	3	109.4480	0.004	3	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5a]HH)	109.4230	0.018	2	109.4230	0.000	2	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3){1|C<3>,1|N<3>}	H(CN[5a]HH)	109.4795	0.016	6	109.6288	0.249	52	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3){1|C<4>,1|H<1>}	H(CN[5a]HH)	109.6423	0.580	35	109.6288	0.249	52	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3){2|C<4>}	H(CN[5a]HH)	109.4851	0.023	8	109.6288	0.249	52	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]O)2(CH3){2|H<1>}	H(CN[5a]HH)	110.1523	0.277	3	109.6288	0.249	52	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]2)(H)3	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	H(CN[5a]HH)	109.4655	0.039	11	109.4655	0.002	11	109.4765	1.845	1066	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<4>,1|S<2>}	H(CN[5a]HH)	109.4650	0.022	3	109.4650	0.000	3	109.4666	0.000	7	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3){1|C<4>,1|O<1>}	H(CN[5a]HH)	109.4677	0.018	4	109.4677	0.000	4	109.4666	0.000	7	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|H<1>,1|O<1>,3|C<4>}	H(CN[5a]HH)	109.4673	0.023	3	109.4673	0.001	3	109.5426	0.962	255	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4703	0.036	6	109.5435	0.974	252	109.5426	0.962	255	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4457	0.369	170	109.5435	0.974	252	109.5426	0.962	255	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.8899	2.005	54	109.5435	0.974	252	109.5426	0.962	255	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4748	0.046	8	109.5435	0.974	252	109.5426	0.962	255	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	H(CN[5a]HH)	109.4650	0.034	14	109.5435	0.974	252	109.5426	0.962	255	109.4933	0.857	3790	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:4:4:	4:	N[5a]-3:H-1:H-1:H-1:	B[5a]-3:N[5a]-4:C-4:	C-4:	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]Rh2)(CH3)	H(CN[5a]HH)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]Rh2)(CH3){1|N<3>,3|C<3>}	H(CN[5a]HH)	109.4737	0.438	3	109.4737	0.192	3	109.4737	0.192	3	109.4822	0.079	6	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:1:1:1:	3:4:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HH)	109.4907	0.064	3	109.4907	0.004	3	109.4907	0.004	3	109.4822	0.079	6	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	2:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CN)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CN)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	H(CN[5a]CH)	107.7915	0.971	4	107.7915	0.942	4	107.7915	0.942	4	108.4586	0.946	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	2:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|C<3>}	H(CN[5a]HO)	109.3685	0.053	2	109.3685	0.003	2	109.3685	0.003	2	108.4586	0.946	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	2:2:4:	4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(SC)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS)	H(CN[5a]HS)	C(N[5a]N[5a]2)(SC)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS){1|O<2>}	H(CN[5a]HS)	108.8830	0.008	2	108.8830	0.000	2	108.8830	0.000	2	108.4586	0.946	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1290	0.004	2	109.0295	0.013	4	109.0856	0.014	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	108.9300	0.004	2	109.0295	0.013	4	109.0856	0.014	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1435	0.021	2	109.1435	0.000	2	109.0856	0.014	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1128	0.148	4	109.1128	0.022	4	109.0856	0.014	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.3730	0.016	2	109.3730	0.000	2	109.3730	0.000	2	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	H(CN[5a]HO)	109.4800	1.583	2	109.4800	2.504	2	109.4800	2.504	2	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	H(CN[5a]HO)	108.5375	4.324	2	108.5375	18.697	2	108.9013	6.409	4	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	H(CN[5a]HO)	109.2650	0.030	2	109.2650	0.001	2	108.9013	6.409	4	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	H(CN[5a]HO)	109.2015	0.032	2	109.1813	0.002	6	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	H(CN[5a]HO)	109.1713	0.042	4	109.1813	0.002	6	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	H(CN[5a]HO)	105.2572	2.738	4	105.2572	7.499	4	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	H(CN[5a]HO)	110.2420	0.000	1	110.2420	0.000	1	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	H(CN[5a]HO)	110.3322	0.170	6	110.3322	0.029	6	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	H(CN[5a]HO)	106.5695	0.354	2	106.5695	0.126	2	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	H(CN[5a]HO)	109.8325	0.681	4	109.8325	0.464	4	108.7313	4.796	23	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(N[5a]C[5a]S[5a])(OH)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]S[5a])(OH)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	H(CN[5a]HO)	109.0195	0.026	2	109.0195	0.001	2	109.0195	0.001	2	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	H(CN[5a]HS)	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	H(CN[5a]HS)	110.2270	1.788	2	110.2270	3.195	2	110.2270	3.195	2	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(SC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	H(CN[5a]HS)	108.9580	0.037	2	108.9580	0.001	2	109.0763	2.689	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	H(CN[5a]HS)	109.4780	4.830	2	109.4780	23.324	2	109.0763	2.689	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	H(CN[5a]HS)	109.0875	0.009	2	109.0875	0.000	2	109.0763	2.689	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(SP)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS)	H(CN[5a]HS)	C(N[5a]C[5a]N[5a])(SP)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS){1|O<2>}	H(CN[5a]HS)	108.9290	0.383	4	108.9290	0.146	4	109.0763	2.689	10	108.9863	2.969	55	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	H(CN[5a]CH)	107.3995	1.773	2	107.3995	3.143	2	107.3995	3.143	2	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.9297	0.363	3	108.9297	0.132	3	108.9297	0.132	3	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	H(CN[5a]CH)	108.9290	0.004	2	108.9290	0.000	2	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1723	0.166	4	109.1693	0.032	12	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.2348	0.228	5	109.1693	0.032	12	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.0563	0.014	3	109.1693	0.032	12	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1343	0.788	4	109.1343	0.621	4	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3845	0.016	2	109.3845	0.000	2	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CN[5a]CH)	109.2370	0.021	2	108.9269	0.774	24	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.8094	1.029	17	108.9269	0.774	24	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.2024	0.111	5	108.9269	0.774	24	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0090	0.000	1	109.0090	0.000	1	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0997	0.268	6	109.0997	0.072	6	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	H(CN[5a]CH)	108.9045	0.008	2	108.9847	0.009	4	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){3|C<3>}	H(CN[5a]CH)	109.0650	0.020	2	108.9847	0.009	4	109.0361	0.393	55	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]2)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	H(CN[5a]CH)	108.5415	0.082	4	108.5415	0.007	4	108.6993	1.131	12	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	H(CN[5a]CH)	108.9917	0.066	4	108.9917	0.004	4	108.6993	1.131	12	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	107.7595	1.682	2	107.7595	2.830	2	108.6993	1.131	12	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	109.3700	2.543	2	109.3700	6.466	2	108.6993	1.131	12	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	H(CN[5a]CH)	109.3345	0.006	2	109.3345	0.000	2	109.3345	0.000	2	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(OC)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6]C[5a])(OC)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	H(CN[5a]HO)	109.1350	0.011	2	109.1350	0.000	2	109.1350	0.000	2	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	H(CN[5a]HO)	108.3665	1.015	2	108.8129	0.354	8	109.0002	1.008	10	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	H(CN[5a]HO)	108.9617	0.428	6	108.8129	0.354	8	109.0002	1.008	10	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]HO)	109.7495	2.279	2	109.7495	5.194	2	109.0002	1.008	10	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	H(CN[5a]HO)	108.8102	0.046	4	109.1231	0.241	8	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HO)	109.9085	0.011	2	109.1231	0.241	8	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	H(CN[5a]HO)	108.9635	0.030	2	109.1231	0.241	8	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	H(CN[5a]HO)	109.2213	1.353	11	109.2213	1.831	11	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HO)	108.6975	0.053	2	108.6975	0.003	2	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	H(CN[5a]HO)	109.3755	0.025	2	109.3755	0.001	2	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	H(CN[5a]HO)	109.4725	0.008	2	109.4725	0.000	2	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HO)	109.4442	0.502	6	109.4442	0.252	6	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO){1|C<3>,1|C<4>,1|N<2>}	H(CN[5a]HO)	109.3187	0.077	3	109.3187	0.006	3	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	H(CN[5a]HO)	109.3615	0.105	4	109.3615	0.011	4	109.2520	0.607	38	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO){1|Br<1>,1|H<1>}	H(CN[5a]HO)	109.1970	0.000	1	109.1970	0.000	1	109.5121	0.292	9	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	H(CN[5a]HO)	110.3865	0.016	2	110.3865	0.000	2	109.5121	0.292	9	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	H(CN[5a]HO)	108.9465	0.030	2	108.9465	0.001	2	109.5121	0.292	9	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(OC[6])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC[6])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	H(CN[5a]HO)	109.4365	0.124	4	109.4365	0.015	4	109.5121	0.292	9	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:1:1:	3:3:4:	4:	N[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS)	H(CN[5a]HS)	C(N[5a]C[5a,6a]C[5a])(SC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HS)	108.8960	1.887	4	108.8960	3.561	4	108.8960	3.561	4	109.0706	0.679	137	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:2:4:1:	3:2:4:	4:	N[5a]-3:O-2:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	H(CN[5a]CO)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a,6a])2(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a,6a])2(CC[5a]HH){2|C<3>}	H(CC[5a]N[5a]H)	109.3083	0.101	4	109.3083	0.010	4	107.8805	5.015	10	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	H(CC[5a]N[5a]H)	106.9287	2.511	6	106.9287	6.303	6	107.8805	5.015	10	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.0480	0.030	2	109.0480	0.001	2	108.8003	1.237	19	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	109.4245	0.097	4	108.6250	2.684	9	108.8003	1.237	19	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(CC[6a]N[5a]H)	105.9275	1.650	2	108.6250	2.684	9	108.8003	1.237	19	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	109.3573	0.013	3	108.6250	2.684	9	108.8003	1.237	19	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.9355	0.191	8	108.9355	0.037	8	108.8003	1.237	19	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	102.1346	4.413	2	105.0783	18.064	4	107.7364	8.801	12	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	108.0220	0.240	2	105.0783	18.064	4	107.7364	8.801	12	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	H(CN[5a]CH)	109.0980	0.021	2	109.0980	0.000	2	107.7364	8.801	12	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	H(CN[5a]CH)	109.2620	0.006	2	109.2620	0.000	2	107.7364	8.801	12	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.7960	0.041	2	108.9507	0.033	4	107.7364	8.801	12	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	H(CN[5a]CH)	109.1055	0.006	2	108.9507	0.033	4	107.7364	8.801	12	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH){1|N<3>}	H(CN[5a]C[5]H)	106.4276	1.408	14	106.4276	1.984	14	106.4276	1.984	14	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN)	H(CN[5a]HN)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	H(CN[5a]HN)	109.0560	0.040	2	108.5846	0.108	7	108.8682	0.557	9	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN)	H(CN[5a]HN)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	H(CN[5a]HN)	108.3960	0.073	5	108.5846	0.108	7	108.8682	0.557	9	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN){1|N<3>}	H(CN[5a]HN)	109.8610	1.129	2	109.8610	1.274	2	108.8682	0.557	9	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	H(CN[5a]2H)	108.1710	1.915	4	108.1710	3.666	4	108.1710	3.666	4	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH){1|C<3>}	H(CN[5a]N[6]H)	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	107.9653	3.825	69	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5a]H)	109.3400	0.096	4	109.3400	0.009	4	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	H(CC[5a]N[5a]H)	109.1246	0.224	8	109.1246	0.050	8	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	H(CC[5a]N[5a]H)	109.1917	0.139	9	109.1917	0.019	9	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	H(CC[5a]N[5a]H)	109.1560	0.142	5	109.1560	0.020	5	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	109.4670	0.016	2	109.4670	0.000	2	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	109.6315	0.043	2	109.6315	0.002	2	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	109.1232	0.154	4	109.1232	0.024	4	109.2221	0.041	34	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	H(CC[6a]N[5a]H)	108.8030	0.234	7	108.8030	0.055	7	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	108.6565	0.117	6	108.6565	0.014	6	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.8047	0.123	4	108.9285	0.046	6	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.1760	0.041	2	108.9285	0.046	6	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.0595	0.436	4	109.0595	0.190	4	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]N[5a]H)	109.3070	0.000	1	109.3070	0.000	1	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.6860	0.000	1	108.6860	0.000	1	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	106.4740	1.705	4	107.7923	2.671	9	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.0410	0.025	2	107.7923	2.671	9	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	H(CC[6a]N[5a]H)	108.7177	0.081	3	107.7923	2.671	9	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.8745	0.190	6	108.8745	0.036	6	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	109.0450	0.000	1	109.0450	0.000	1	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	108.9712	0.036	4	108.9712	0.001	4	108.6593	0.727	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.2460	0.021	2	109.2460	0.000	2	109.2460	0.000	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:Br-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	H(CN[5a]BrC)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	H(CN[5a]BrC)	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.8695	0.299	12	108.8695	0.090	12	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.7470	0.074	4	108.9773	0.070	20	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9282	0.304	8	108.9773	0.070	20	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.1415	0.177	8	108.9773	0.070	20	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.8137	0.069	3	108.8137	0.005	3	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0855	0.013	2	109.0855	0.000	2	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3729	0.116	8	109.3729	0.013	8	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.4480	0.038	2	109.4480	0.001	2	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9370	0.246	8	108.9370	0.061	8	109.0176	0.087	55	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.2970	0.031	3	109.2970	0.001	3	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	108.9883	0.312	10	108.9883	0.097	10	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	H(CN[5a]CH)	109.2335	0.005	2	109.3722	0.067	6	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	109.4415	0.305	4	109.3722	0.067	6	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.1441	0.077	12	109.1316	0.009	14	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	109.0565	0.204	2	109.1316	0.009	14	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.3355	0.008	2	109.3355	0.000	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCI)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCI)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.9565	0.005	2	108.9565	0.000	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	108.7060	0.018	2	108.7060	0.000	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	H(CN[5a]CH)	108.8985	0.045	2	108.8985	0.002	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.0347	0.117	3	109.0347	0.014	3	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.3550	0.142	6	109.3550	0.020	6	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	H(CN[5a]CH)	109.2430	0.163	4	109.2430	0.027	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.0113	0.212	4	109.0113	0.045	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	108.6740	0.000	1	108.6740	0.000	1	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.4140	0.000	1	109.4140	0.000	1	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	109.4212	0.142	6	109.4212	0.020	6	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	109.1505	0.009	2	109.1505	0.000	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	109.2095	0.018	2	109.2095	0.000	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.2130	0.306	8	109.2130	0.093	8	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	H(CN[5a]CH)	109.2155	0.009	2	109.2155	0.000	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	H(CN[5a]CH)	109.3382	0.190	12	109.3382	0.036	12	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.0460	0.000	1	108.9035	0.062	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	108.8560	0.281	3	108.9035	0.062	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	108.5932	0.598	5	108.5932	0.358	5	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	H(CN[5a]CH)	110.1360	0.000	1	110.1360	0.000	1	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.5610	0.000	1	109.5610	0.000	1	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.1910	0.000	1	109.1910	0.000	1	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.4493	0.288	4	109.4493	0.083	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	H(CN[5a]CH)	109.3803	0.098	4	109.3803	0.010	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.3760	0.057	2	109.3760	0.003	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.1518	0.115	10	109.2104	0.030	12	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.5035	0.019	2	109.2104	0.030	12	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.9025	0.008	2	109.0883	0.046	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.2740	0.007	2	109.0883	0.046	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.4615	0.168	4	109.4615	0.028	4	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.9960	0.017	2	109.1579	0.921	20	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	109.1758	1.013	18	109.1579	0.921	20	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	H(CN[5a]CH)	109.2405	0.036	2	109.2405	0.001	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	108.9299	0.681	18	108.9299	0.464	18	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	H(CN[5a]CH)	107.8585	2.040	2	107.8585	4.162	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.1220	0.156	6	109.1220	0.024	6	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.0185	0.029	2	109.0185	0.001	2	109.1443	0.252	184	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(N[5a]C[5a]O[5a])(CCH)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]O[5a])(CCH)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	H(CN[5a]CH)	109.2225	0.005	2	109.2225	0.000	2	109.2225	0.000	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(N[5a]C[5a]S[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]S[5a])(COO)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.0090	0.013	2	109.0090	0.000	2	109.0090	0.000	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	H(CN[5a]C[5]H)	109.3230	0.037	2	109.3230	0.001	2	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]C[5]H)	109.0780	0.010	2	109.0780	0.000	2	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	109.2127	0.203	27	109.2127	0.041	27	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	H(CN[5a]C[5]H)	108.1492	1.633	4	108.1492	2.668	4	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	109.4843	0.161	4	109.4843	0.026	4	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	109.2378	0.261	4	109.2378	0.068	4	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	109.5415	0.026	2	109.5415	0.001	2	109.1580	0.325	45	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5a]N[5a]H)	107.3230	0.113	2	107.3230	0.013	2	107.3230	0.013	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	H(CC[5a]N[5a]H)	109.0540	0.017	2	109.0540	0.000	2	109.2118	0.015	6	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH){2|C<3>}	H(CC[5a]N[5a]H)	109.3040	0.031	2	109.3040	0.001	2	109.2118	0.015	6	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	H(CC[5a]N[5a]H)	109.2775	0.016	2	109.2775	0.000	2	109.2118	0.015	6	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5a]H)	108.8990	0.099	3	108.8990	0.010	3	109.0012	0.146	14	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5a]H)	109.0725	0.101	2	109.0725	0.010	2	109.0012	0.146	14	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	H(CC[5a]N[5a]H)	108.9770	0.057	2	108.9770	0.003	2	109.0012	0.146	14	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	109.2110	0.028	2	109.2110	0.001	2	109.0012	0.146	14	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	108.9598	0.656	5	108.9598	0.431	5	109.0012	0.146	14	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	H(CN[5a]C[6]H)	108.9095	0.013	2	108.9095	0.000	2	109.1041	0.032	16	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	H(CN[5a]C[6]H)	108.9195	0.020	4	108.9195	0.000	4	109.1041	0.032	16	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	H(CN[5a]C[6]H)	109.1845	0.008	2	109.1845	0.000	2	109.1041	0.032	16	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	H(CN[5a]C[6]H)	109.1505	0.009	2	109.1505	0.000	2	109.1041	0.032	16	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	H(CN[5a]C[6]H)	109.2498	0.160	6	109.2498	0.026	6	109.1041	0.032	16	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	H(CC[6a]N[5a]H)	109.5785	0.009	2	109.5785	0.000	2	109.5785	0.000	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	H(CC[6a]N[5a]H)	108.6665	0.074	2	108.6665	0.006	2	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5a]H)	109.0020	0.000	1	109.0020	0.000	1	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]N[5a]H)	109.0775	0.012	2	109.0775	0.000	2	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[5a]H)	109.2335	0.008	2	109.2335	0.000	2	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.3510	0.000	1	109.3510	0.000	1	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.9886	0.197	10	108.9886	0.039	10	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5a]H)	108.4520	0.057	2	108.4520	0.003	2	108.9549	0.073	20	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:As[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.7605	0.015	2	108.7605	0.000	2	108.7605	0.000	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.9430	0.187	2	108.9430	0.035	2	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]N[5a]H)	108.5560	0.020	2	108.5560	0.000	2	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5a]H)	108.5710	0.011	2	109.0124	0.136	38	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.0406	0.387	30	109.0124	0.136	38	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0185	0.237	6	109.0124	0.136	38	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]N[5a]H)	108.9205	0.043	2	108.8701	0.089	27	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.8249	0.287	23	108.8701	0.089	27	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	109.3395	0.064	2	108.8701	0.089	27	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.5555	0.018	2	108.9192	0.070	9	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.1745	0.009	2	108.9192	0.070	9	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.9626	0.196	5	108.9192	0.070	9	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.7385	0.345	6	108.7385	0.119	6	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.7675	0.124	4	108.7675	0.015	4	108.9174	0.110	88	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.6065	0.043	2	108.6065	0.002	2	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	109.0790	0.017	2	109.3577	0.050	6	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(CC[6a]N[5a]H)	109.4970	0.072	4	109.3577	0.050	6	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.1236	0.317	5	109.1236	0.101	5	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[5a]H)	109.2137	0.258	19	108.9380	0.391	43	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	H(CC[6a]N[5a]H)	108.5421	0.855	16	108.9380	0.391	43	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	109.0749	0.148	8	108.9380	0.391	43	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	H(CC[6a]N[5a]H)	108.9902	0.070	5	108.9391	0.208	54	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.0363	0.160	35	108.9391	0.208	54	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	108.6778	0.824	14	108.9391	0.208	54	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	H(CC[6a]N[5a]H)	109.2873	0.018	3	108.9678	0.358	63	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.8559	0.748	37	108.9678	0.358	63	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(CC[6a]N[5a]H)	109.0854	0.222	8	108.9678	0.358	63	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	109.1005	0.183	14	108.9678	0.358	63	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	H(CC[6a]N[5a]H)	109.3500	0.000	1	108.9678	0.358	63	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	H(CC[6a]N[5a]H)	108.6228	0.128	6	108.6228	0.016	6	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	108.8125	0.016	2	108.8456	0.075	9	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.6125	0.107	4	108.8456	0.075	9	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	H(CC[6a]N[5a]H)	109.1385	0.022	2	108.8456	0.075	9	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.2580	0.000	1	108.8456	0.075	9	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	H(CC[6a]N[5a]H)	108.9400	0.120	5	108.5090	2.296	27	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	107.3650	4.705	2	108.5090	2.296	27	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.8775	0.197	4	108.5090	2.296	27	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	109.0845	0.049	2	108.5090	2.296	27	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	H(CC[6a]N[5a]H)	108.6915	0.018	2	108.5090	2.296	27	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.2709	1.703	12	108.5090	2.296	27	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.9078	1.008	50	108.8697	1.275	84	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	H(CC[6a]N[5a]H)	108.8132	0.025	4	108.8697	1.275	84	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	H(CC[6a]N[5a]H)	109.3435	0.023	2	108.8697	1.275	84	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	H(CC[6a]N[5a]H)	108.7760	1.432	28	108.8697	1.275	84	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	H(CC[6a]N[5a]H)	109.0463	0.191	16	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	109.0091	0.748	117	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(CC[6a]N[5a]H)	109.0776	0.741	118	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	H(CC[6a]N[5a]H)	109.3260	0.039	6	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	H(CC[6a]N[5a]H)	108.1485	0.970	4	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	H(CC[6a]N[5a]H)	109.1162	0.096	5	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	H(CC[6a]N[5a]H)	109.3545	0.016	2	109.0403	0.512	268	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	H(CC[6a]N[5a]H)	109.0985	0.052	2	108.9764	0.053	11	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.9492	0.247	9	108.9764	0.053	11	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	H(CC[6a]N[5a]H)	109.0125	0.035	2	109.0125	0.001	2	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	H(CC[6a]N[5a]H)	109.5020	0.007	2	108.7391	1.962	12	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.5865	1.498	10	108.7391	1.962	12	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	109.3629	0.213	7	109.3629	0.046	7	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<2>,1|C<4>,2|N<2>}	H(CC[6a]N[5a]H)	109.1945	0.050	2	108.8950	0.036	10	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]N[5a]H)	108.7668	0.078	6	108.8950	0.036	10	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|F<1>,2|N<2>}	H(CC[6a]N[5a]H)	108.9800	0.006	2	108.8950	0.036	10	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]Pt)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]Pt)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	108.5250	0.338	4	108.5250	0.115	4	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.6500	0.008	2	108.6500	0.000	2	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[5a]H)	108.8538	0.254	4	108.8603	0.039	6	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.8735	0.009	2	108.8603	0.039	6	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	108.9625	0.140	6	108.9625	0.020	6	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]N[5a]H)	109.1155	0.045	2	109.1155	0.002	2	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.1163	0.016	3	109.0805	0.005	4	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<4>,2|C<4>}	H(CC[6a]N[5a]H)	108.9730	0.000	1	109.0805	0.005	4	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	109.1854	0.191	24	109.0106	0.425	26	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	H(CC[6a]N[5a]H)	106.9130	0.512	2	109.0106	0.425	26	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	109.1432	0.020	4	109.1432	0.000	4	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	H(CC[6a]N[5a]H)	108.9025	0.019	2	108.9025	0.000	2	108.9588	0.603	665	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	H(CN[5a]HN)	108.2895	0.011	2	108.2895	0.000	2	108.7145	0.053	10	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	H(CN[5a]HN)	108.7750	0.033	4	108.7750	0.001	4	108.7145	0.053	10	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	H(CN[5a]HN)	108.8510	0.004	2	108.8510	0.000	2	108.7145	0.053	10	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	H(CN[5a]HN)	108.8820	0.055	2	108.8820	0.003	2	108.7145	0.053	10	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	H(CN[5a]HN)	109.0438	0.442	5	109.0438	0.195	5	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	H(CN[5a]HN)	109.3045	0.037	2	109.3045	0.001	2	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	H(CN[5a]HN)	109.2090	0.000	1	109.2090	0.000	1	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	H(CN[5a]HN)	108.1835	0.008	2	108.1835	0.000	2	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	H(CN[5a]HN)	108.0795	1.638	2	108.0795	2.684	2	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	H(CN[5a]HN)	106.0770	2.560	2	106.0770	6.552	2	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	H(CN[5a]HN)	106.6900	0.870	4	107.4148	1.715	6	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	H(CN[5a]HN)	108.8645	0.022	2	107.4148	1.715	6	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]HN)	106.6220	2.687	2	106.9407	2.545	4	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	H(CN[5a]HN)	107.2595	0.090	2	106.9407	2.545	4	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	H(CN[5a]HN)	106.0430	3.908	4	106.0430	15.274	4	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN){1|C<4>,1|N<3>}	H(CN[5a]HN)	106.5940	0.581	2	106.5940	0.338	2	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	H(CN[5a]HN)	108.8730	0.000	1	108.8730	0.000	1	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	H(CN[5a]HN)	109.0080	0.365	4	109.0080	0.133	4	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	H(CN[5a]HN)	109.5200	0.088	4	109.5200	0.008	4	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	H(CN[5a]HN)	110.6405	1.893	2	110.6405	3.583	2	108.0877	3.692	41	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]S[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	H(CN[5a]HN)	108.5490	0.020	2	108.5490	0.000	2	108.5490	0.000	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	108.3222	0.138	4	108.3222	0.019	4	109.0063	0.180	38	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	109.0323	0.548	11	109.0323	0.300	11	109.0063	0.180	38	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	109.1495	0.245	20	109.1495	0.060	20	109.0063	0.180	38	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	108.8690	0.253	3	108.8690	0.064	3	109.0063	0.180	38	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5a]N[5]H)	109.2616	0.252	5	109.2616	0.064	5	109.3692	0.062	8	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	H(CN[5a]N[5]H)	109.5487	0.112	3	109.5487	0.013	3	109.3692	0.062	8	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	H(CN[5a]2H)	106.5940	0.547	2	106.5940	0.300	2	106.5940	0.300	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	H(CN[5a]2H)	109.0528	0.096	5	108.9660	0.020	8	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	H(CN[5a]2H)	108.8213	0.033	3	108.9660	0.020	8	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	H(CN[5a]2H)	108.8835	0.011	2	108.8835	0.000	2	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	H(CN[5a]2H)	109.0150	0.025	2	109.3696	0.105	5	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	H(CN[5a]2H)	109.6110	0.006	2	109.3696	0.105	5	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	H(CN[5a]2H)	109.5960	0.000	1	109.3696	0.105	5	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	H(CN[5a]2H)	109.4652	0.054	4	109.4652	0.003	4	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	H(CN[5a]2H)	109.0323	0.036	4	109.0323	0.001	4	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	H(CN[5a]2H)	109.1786	0.214	10	109.1786	0.046	10	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	H(CN[5a]2H)	108.2090	1.548	4	108.2090	2.395	4	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	H(CN[5a]2H)	109.2547	0.061	9	109.2547	0.004	9	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	H(CN[5a]2H)	109.3980	2.090	2	109.3980	4.369	2	109.1051	0.369	48	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	H(CN[5a]N[6]H)	108.3885	0.063	2	108.3885	0.004	2	108.3885	0.004	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	H(CN[5a]N[6]H)	109.2130	0.534	3	109.2130	0.286	3	108.7714	0.508	5	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	H(CN[5a]N[6]H)	108.1090	0.007	2	108.1090	0.000	2	108.7714	0.508	5	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	H(CN[5a]N[6]H)	108.4885	1.669	10	108.4885	2.784	10	108.4885	2.784	10	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	H(CN[5a]N[6a]H)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	H(CN[5a]N[6a]H)	108.5745	2.613	2	108.5745	6.827	2	108.5745	6.827	2	108.9604	0.585	1353	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	H(CC[5a]N[5a]H)	108.8020	0.014	2	108.9888	0.031	5	108.9888	0.031	5	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	H(CC[5a]N[5a]H)	109.1133	0.064	3	108.9888	0.031	5	108.9888	0.031	5	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	H(CC[5a]N[5a]H)	109.6710	0.018	2	109.6710	0.000	2	108.6079	1.338	18	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	108.1808	0.498	4	108.1808	0.248	4	108.6079	1.338	18	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	108.9840	0.018	2	108.9840	0.000	2	108.6079	1.338	18	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	H(CC[5a]N[5a]H)	108.8855	0.037	2	108.8855	0.001	2	108.6079	1.338	18	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	H(CC[5a]N[5a]H)	108.3924	1.612	8	108.3924	2.599	8	108.6079	1.338	18	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH){2|H<1>}	H(CN[5a]C[6]H)	108.8435	0.018	2	108.8435	0.000	2	108.8435	0.000	2	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.5458	0.079	6	108.5458	0.006	6	108.5458	0.006	6	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.5945	0.011	2	108.5945	0.000	2	108.5233	0.007	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	H(CC[6a]N[5a]H)	108.4520	0.011	2	108.4520	0.000	2	108.5233	0.007	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	H(CC[6a]N[5a]H)	108.8330	0.000	1	108.8330	0.000	1	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	108.3053	2.826	7	108.3053	7.987	7	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	H(CC[6a]N[5a]H)	109.0463	0.199	3	109.0463	0.040	3	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]N[5a]H)	108.8665	0.011	2	108.8665	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5a]H)	108.7945	0.009	2	108.7945	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]N[5a]H)	107.4575	2.529	2	107.4575	6.397	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.3080	0.018	2	109.3080	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.9242	0.179	6	108.9242	0.032	6	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.8785	0.074	2	108.8785	0.006	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	H(CC[6a]N[5a]H)	108.8665	0.015	2	108.8665	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5a]H)	108.9030	0.000	1	108.7661	0.028	30	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.9650	0.023	2	108.7661	0.028	30	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	H(CC[6a]N[5a]H)	108.8565	0.052	2	108.7661	0.028	30	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.5834	0.082	5	108.7661	0.028	30	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5a]H)	109.0440	0.000	1	108.7661	0.028	30	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5a]H)	108.7619	0.156	19	108.7661	0.028	30	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.9860	0.017	2	108.9860	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.9966	0.228	5	109.0542	0.034	13	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	H(CC[6a]N[5a]H)	109.0902	0.155	8	109.0542	0.034	13	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	109.0930	0.014	2	109.0930	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5a]H)	108.6345	0.040	2	108.6345	0.002	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.6350	0.024	2	108.6350	0.001	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	108.6445	0.019	2	108.9736	0.052	8	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.9480	0.025	2	108.9736	0.052	8	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	H(CC[6a]N[5a]H)	109.0865	0.009	2	108.9736	0.052	8	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|H<1>}	H(CC[6a]N[5a]H)	109.2155	0.021	2	108.9736	0.052	8	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	H(CC[6a]N[5a]H)	107.8700	0.027	2	107.8700	0.001	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.0960	0.025	2	108.8287	0.097	4	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	H(CC[6a]N[5a]H)	108.5615	0.076	2	108.8287	0.097	4	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.1410	0.004	2	108.8644	0.065	5	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[5a]H)	108.6800	0.053	3	108.8644	0.065	5	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	107.0000	2.242	2	107.0000	5.024	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	H(CC[6a]N[5a]H)	108.6320	0.570	4	108.6320	0.324	4	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.8555	0.090	2	108.8555	0.008	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	109.2615	0.005	2	109.2615	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5a]H)	108.7510	0.016	2	108.7510	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	108.4596	0.883	5	108.4596	0.779	5	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	H(CC[6a]N[5a]H)	106.9882	2.045	4	108.5657	2.131	119	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	108.6133	1.427	113	108.5657	2.131	119	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	H(CC[6a]N[5a]H)	109.0280	0.010	2	108.5657	2.131	119	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	107.2852	1.726	4	107.2852	2.979	4	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	108.8345	0.026	2	108.8345	0.001	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.0595	0.006	2	108.8764	0.013	8	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|H<1>}	H(CC[6a]N[5a]H)	108.8153	0.025	6	108.8764	0.013	8	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]N[5a]H)	108.8879	0.356	64	108.8879	0.127	64	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	H(CC[6a]N[5a]H)	109.1610	0.011	2	109.1610	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.3010	0.066	2	109.3010	0.004	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	109.1053	0.052	3	109.1053	0.003	3	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	H(CC[6a]N[5a]H)	108.6440	0.006	2	108.6440	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.7635	0.013	2	108.7635	0.000	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[5a]H)	109.0803	0.331	6	108.7687	0.698	18	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.6527	0.119	4	108.7687	0.698	18	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.5930	1.219	8	108.7687	0.698	18	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){4|C<3>}	H(CC[6a]N[5a]H)	108.3030	0.045	2	108.3030	0.002	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]N[5a]H)	109.2125	0.036	2	109.2125	0.001	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	107.9895	1.655	4	107.9895	2.741	4	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.7005	0.111	4	108.7005	0.012	4	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	109.2424	0.174	7	109.2424	0.030	7	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]N[5a]H)	108.8302	0.043	11	108.8302	0.002	11	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	H(CC[6a]N[5a]H)	109.3253	0.073	3	109.3253	0.005	3	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5a]H)	109.0000	1.065	2	109.0000	1.134	2	108.7203	1.046	377	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	109.0265	0.067	4	109.0265	0.004	4	109.0265	0.004	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCH)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	H(CN[5a]CH)	108.8940	0.024	2	108.8940	0.001	2	108.8940	0.001	2	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(COO)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(COO)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0270	0.020	2	109.0270	0.000	2	109.0270	0.000	2	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(CN[5a]CH)	108.7905	0.064	2	108.7905	0.004	2	108.7905	0.004	2	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	H(CN[5a]CH)	109.3050	0.048	2	109.3050	0.002	2	109.2173	0.012	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(CN[5a]CH)	109.1295	0.060	2	109.1295	0.004	2	109.2173	0.012	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.7489	0.278	14	108.7489	0.077	14	108.6977	0.078	24	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	109.0160	0.000	1	109.0160	0.000	1	108.6977	0.078	24	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.7430	0.056	3	108.7430	0.003	3	108.6977	0.078	24	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.5025	0.283	6	108.5025	0.080	6	108.6977	0.078	24	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1925	0.018	2	109.1925	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1170	0.000	1	109.1170	0.000	1	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2367	0.193	6	109.2367	0.037	6	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCC)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0320	0.000	1	109.0320	0.000	1	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	H(CN[5a]CH)	108.9833	0.357	3	108.9833	0.128	3	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	H(CN[5a]CH)	108.4600	0.011	2	108.4600	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.7951	0.151	7	108.7679	0.018	11	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	108.7202	0.092	4	108.7679	0.018	11	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.3865	0.012	2	108.3865	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.9195	0.012	2	108.9195	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	H(CN[5a]CH)	108.9450	0.000	1	108.9450	0.000	1	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]CH)	107.9205	1.540	4	107.9205	2.372	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3796	0.256	10	109.3796	0.065	10	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1393	0.261	4	109.1393	0.068	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CN[5a]CH)	108.7755	0.015	2	108.9590	0.040	15	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9776	0.213	10	108.9590	0.040	15	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.0193	0.192	3	108.9590	0.040	15	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2145	0.057	2	109.2145	0.003	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2530	0.329	4	109.2530	0.108	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	H(CN[5a]CH)	108.7315	0.012	2	108.8730	0.027	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0145	0.012	2	108.8730	0.027	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.6020	0.564	8	108.6020	0.318	8	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.0350	0.013	2	109.0350	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	105.4860	1.981	2	105.4860	3.926	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1195	2.570	2	109.1993	1.333	6	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	H(CN[5a]CH)	109.1440	0.021	2	109.1993	1.333	6	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	H(CN[5a]CH)	109.3345	0.018	2	109.1993	1.333	6	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	108.1360	0.006	2	108.1360	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.4575	0.013	2	109.4575	0.000	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.5125	0.008	2	109.2250	0.111	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	H(CN[5a]CH)	108.9375	0.032	2	109.2250	0.111	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	H(CN[5a]CH)	109.1730	0.000	1	109.1730	0.000	1	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5a]CH)	108.4865	0.035	2	108.4865	0.001	2	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]CH)	109.3180	0.000	1	109.3180	0.000	1	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1880	0.044	2	109.3400	0.032	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	H(CN[5a]CH)	109.4920	0.020	2	109.3400	0.032	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	H(CN[5a]CH)	110.6155	2.599	2	109.0081	2.388	14	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.4590	0.017	2	109.0081	2.388	14	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	H(CN[5a]CH)	106.9020	3.127	2	109.0081	2.388	14	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	H(CN[5a]CH)	109.0201	0.098	8	109.0081	2.388	14	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3125	0.013	2	109.1928	0.019	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	H(CN[5a]CH)	109.0730	0.006	2	109.1928	0.019	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.8843	0.195	6	108.8843	0.038	6	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|Cl<1>,2|C<3>}	H(CN[5a]CH)	109.1265	0.037	2	108.9129	0.073	13	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.8741	0.277	11	108.9129	0.073	13	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	H(CN[5a]CH)	109.1867	0.233	4	109.1867	0.054	4	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.5248	0.637	19	109.5248	0.406	19	108.9936	0.638	168	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CBrC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CBrC)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	H(CN[5a]CH)	108.7875	0.026	2	108.7875	0.001	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]C)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	H(CN[5a]CH)	108.9165	0.145	4	108.9165	0.021	4	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|S<2>}	H(CN[5a]CH)	109.1800	0.037	2	109.1800	0.001	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	108.8745	0.015	2	108.8745	0.000	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	H(CN[5a]CH)	109.0375	0.078	2	109.0375	0.006	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	H(CN[5a]CH)	109.9180	0.059	2	109.9180	0.004	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	H(CN[5a]CH)	109.6350	0.061	2	109.6350	0.004	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	H(CN[5a]CH)	108.7109	0.324	15	108.7109	0.105	15	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	111.5460	0.066	2	111.5460	0.004	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	H(CN[5a]CH)	108.9490	0.224	8	108.9490	0.050	8	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	108.7353	0.038	3	108.7353	0.001	3	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(CN[5a]CH)	107.0497	1.640	6	107.0497	2.691	6	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	H(CN[5a]CH)	109.2870	0.027	3	109.2870	0.001	3	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	109.1285	0.012	2	109.1285	0.000	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	108.2765	1.136	2	108.2765	1.291	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6]C)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6]C)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	108.7990	0.017	2	108.7990	0.000	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]N)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	108.3610	3.588	2	108.3610	12.873	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(CN[5a]CH)	109.6440	0.033	2	109.6440	0.001	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.0170	0.006	2	109.0170	0.000	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	H(CN[5a]CH)	108.9585	0.062	2	108.9585	0.004	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	H(CN[5a]CH)	109.1860	0.127	4	109.1860	0.016	4	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.0188	0.171	6	109.0188	0.029	6	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(CN[5a]CH)	109.1830	0.033	2	109.1830	0.001	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	109.9450	0.004	2	109.9450	0.000	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	H(CN[5a]CH)	108.1020	0.028	2	108.1020	0.001	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(CN[5a]CH)	109.7359	0.313	7	109.7359	0.098	7	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.2895	0.094	2	109.3502	0.041	6	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(CN[5a]CH)	109.3805	0.250	4	109.3502	0.041	6	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	H(CN[5a]CH)	109.1885	0.238	6	109.1885	0.056	6	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CNO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	109.5155	0.658	2	109.5155	0.433	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5a]CH)	108.7265	0.080	2	108.7265	0.006	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	H(CN[5a]CH)	109.0653	1.771	8	109.0653	3.138	8	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.2821	0.164	8	109.2249	0.019	16	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Mn<5>,1|C<3>}	H(CN[5a]CH)	109.2910	0.010	2	109.2249	0.019	16	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	109.1265	0.038	6	109.2249	0.019	16	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9350	0.040	2	108.9350	0.002	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	H(CN[5a]CH)	109.7545	0.032	2	109.7545	0.001	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(CN[5a]CH)	109.6153	0.208	6	109.6153	0.043	6	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.3420	0.000	1	109.3420	0.000	1	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	109.1840	0.076	4	109.1840	0.006	4	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	H(CN[5a]CH)	109.3739	0.175	25	109.3739	0.031	25	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	109.3210	0.815	2	109.3210	0.664	2	109.1166	0.661	172	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){1|H<1>,3|C<3>}	H(CN[5a]C[5]H)	108.2710	0.055	2	108.2710	0.003	2	109.2387	0.301	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	H(CN[5a]C[5]H)	109.7945	0.013	2	109.7945	0.000	2	109.2387	0.301	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	H(CN[5a]C[5]H)	109.4527	0.108	4	109.4527	0.012	4	109.2387	0.301	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){2|C<3>,2|H<1>}	H(CN[5a]C[5]H)	109.2225	0.009	2	109.2225	0.000	2	109.2387	0.301	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	H(CC[5a]N[5a]H)	108.9160	0.028	2	108.9160	0.001	2	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	H(CC[5a]N[5a]H)	105.6260	4.172	2	105.6260	17.405	2	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]N[5a]H)	109.0610	0.000	1	109.2493	0.027	3	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,3|C<3>}	H(CC[5a]N[5a]H)	109.3435	0.030	2	109.2493	0.027	3	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	H(CC[5a]N[5a]H)	109.2698	0.167	6	109.2698	0.028	6	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]N[5a]H)	109.3005	0.006	2	109.3005	0.000	2	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	H(CC[5a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	H(CC[5a]N[5a]H)	109.0840	0.004	2	109.0840	0.000	2	108.7776	2.522	17	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	H(CN[5a]C[6]H)	108.2675	0.648	2	108.2675	0.420	2	108.2675	0.420	2	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,2|C<3>}	H(CN[5a]C[6]H)	109.1850	0.037	2	109.1850	0.001	2	108.9665	0.088	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5a]C[6]H)	108.7032	0.128	4	108.7032	0.016	4	108.9665	0.088	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	H(CN[5a]C[6]H)	109.2745	0.013	2	109.2745	0.000	2	108.9665	0.088	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	N[5a](C[5a]C[5a]H)2(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	N[5a](C[5a]C[5a]H)2(CC[6]HH){2|H<1>}	H(CN[5a]C[6]H)	109.0975	0.005	2	109.0975	0.000	2	108.9477	0.126	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]C[6]H)	108.8978	0.406	6	108.8978	0.165	6	108.9477	0.126	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	H(CC[6a]N[5a]H)	108.9945	0.022	2	108.9945	0.000	2	109.1233	0.293	6	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	H(CC[6a]N[5a]H)	108.5945	0.026	2	108.5945	0.001	2	109.1233	0.293	6	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	109.7810	0.064	2	109.7810	0.004	2	109.1233	0.293	6	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(CC[6a]N[5a]H)	108.7043	0.089	3	108.7043	0.008	3	108.8989	0.089	7	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.3275	0.013	2	109.3275	0.000	2	108.8989	0.089	7	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.7620	0.035	2	108.7620	0.001	2	108.8989	0.089	7	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]N[5a]H)	109.0610	0.205	4	109.0610	0.042	4	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[5a]H)	109.6470	0.033	2	109.6470	0.001	2	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5a]H)	108.2215	0.042	2	108.2215	0.002	2	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]N[5a]H)	108.8360	0.000	1	109.1430	0.072	3	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	H(CC[6a]N[5a]H)	109.2965	0.060	2	109.1430	0.072	3	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.7195	0.022	2	109.1208	0.215	4	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.5220	0.004	2	109.1208	0.215	4	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.1490	0.759	2	109.1490	0.577	2	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH){1|Ru<8>,3|C<3>}	H(CC[6a]N[5a]H)	109.1585	0.029	2	109.1585	0.001	2	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.5455	0.047	2	108.5455	0.002	2	109.0285	0.209	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.4980	0.011	2	109.2105	0.110	4	109.1356	0.111	5	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.9230	0.014	2	109.2105	0.110	4	109.1356	0.111	5	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.8360	0.000	1	108.8360	0.000	1	109.1356	0.111	5	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.8735	0.021	2	108.8735	0.000	2	108.8735	0.000	2	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	106.4425	2.214	2	107.6333	3.524	4	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5a]H)	108.8240	0.010	2	107.6333	3.524	4	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5a]H)	108.6457	0.043	4	108.5728	0.080	10	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]N[5a]H)	108.5122	0.474	4	108.5728	0.080	10	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5a]H)	108.5480	0.021	2	108.5728	0.080	10	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5a]H)	108.9235	0.018	2	108.9235	0.000	2	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.8910	0.132	4	108.7856	0.389	12	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5a]H)	108.0145	1.572	2	108.7856	0.389	12	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.7400	0.013	2	108.7856	0.389	12	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	H(CC[6a]N[5a]H)	109.2835	0.015	2	108.7856	0.389	12	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5a]H)	108.8935	0.042	2	108.7856	0.389	12	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]N[5a]H)	108.6350	0.000	1	108.6350	0.000	1	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.1410	0.000	1	109.1410	0.000	1	108.5770	0.697	30	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	108.6230	0.030	2	108.6230	0.001	2	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	H(CC[6a]N[5a]H)	108.3990	0.013	2	108.4205	0.014	6	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	108.4313	0.149	4	108.4205	0.014	6	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.7225	0.036	2	108.7225	0.001	2	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.6538	0.149	4	108.7145	0.205	77	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	108.6660	0.059	2	108.7145	0.205	77	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.7193	0.471	71	108.7145	0.205	77	108.6923	0.188	87	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.0865	0.064	2	109.0865	0.004	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[5a]H)	109.3190	0.152	4	109.3190	0.023	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	H(CC[6a]N[5a]H)	108.4360	0.083	4	108.4360	0.007	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.7332	0.041	8	108.7332	0.002	8	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.0300	0.000	1	108.0300	0.000	1	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.8267	0.235	7	108.8580	0.103	17	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]N[5a]H)	108.8870	0.038	2	108.8580	0.103	17	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.2438	0.254	4	108.8580	0.103	17	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.5125	0.115	4	108.8580	0.103	17	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.9200	0.018	2	108.9200	0.000	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.6286	0.037	20	108.6273	0.007	28	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	H(CC[6a]N[5a]H)	108.6090	0.038	2	108.6273	0.007	28	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.6288	0.177	6	108.6273	0.007	28	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.7040	0.030	2	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.7160	0.837	35	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[5a]H)	108.6430	0.024	4	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	108.9447	0.154	4	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]N[5a]H)	108.7750	0.038	2	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.9346	0.288	47	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.7225	0.089	4	108.8284	0.299	98	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	108.5658	0.435	9	108.6076	0.121	14	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.6830	0.068	5	108.6076	0.121	14	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.8953	0.165	14	108.7539	0.115	79	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.7235	0.360	65	108.7539	0.115	79	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.7643	0.294	44	108.7643	0.087	44	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.9493	0.371	8	108.9493	0.138	8	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	H(CC[6a]N[5a]H)	109.1312	0.156	4	108.9751	0.424	75	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.3510	0.000	1	108.9751	0.424	75	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	H(CC[6a]N[5a]H)	109.0800	0.013	2	108.9751	0.424	75	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.9560	0.691	66	108.9751	0.424	75	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	H(CC[6a]N[5a]H)	109.0010	0.020	2	108.9751	0.424	75	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.0660	0.025	2	108.8083	0.090	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	H(CC[6a]N[5a]H)	108.5505	0.047	2	108.8083	0.090	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N[5a]H)	108.7460	0.006	2	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.8996	0.509	30	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[5a]H)	108.3115	0.013	2	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|N<2>}	H(CC[6a]N[5a]H)	108.7910	0.000	1	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.3720	0.018	2	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.7725	0.029	4	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.7258	0.158	11	108.8406	0.180	52	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH){1|O<1>,2|N<3>}	H(CC[6a]N[5a]H)	108.6095	0.050	2	108.6095	0.003	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.4958	0.360	4	108.4958	0.130	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.2455	0.015	2	108.8827	0.084	12	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.7850	0.030	2	108.8827	0.084	12	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.7415	0.011	2	108.8827	0.084	12	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.8748	0.439	4	108.8827	0.084	12	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.7745	0.011	2	108.8827	0.084	12	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH){1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]N[5a]H)	107.7545	1.914	2	107.7545	3.664	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.9290	0.004	2	108.9290	0.000	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	107.9050	0.057	2	107.9050	0.003	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	H(CC[6a]N[5a]H)	107.8755	0.394	2	107.8755	0.155	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|Cl<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.1510	1.229	2	107.6743	1.074	10	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	107.3051	0.622	8	107.6743	1.074	10	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5a]H)	108.6070	0.188	2	108.6070	0.035	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	106.4015	0.902	2	107.5097	1.910	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.6180	0.058	2	107.5097	1.910	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	H(CC[6a]N[5a]H)	107.4910	0.140	2	107.4910	0.020	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	109.0240	0.208	6	109.0240	0.043	6	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.8581	0.746	41	108.8581	0.556	41	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.9627	0.197	4	108.9733	0.024	6	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.9945	0.029	2	108.9733	0.024	6	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.8612	0.258	4	108.8612	0.066	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.8585	0.032	2	108.8585	0.001	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.0965	0.193	2	109.0965	0.037	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.6723	0.635	4	108.6723	0.403	4	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.8868	0.158	8	108.8868	0.025	8	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.4015	0.036	2	108.4015	0.001	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.8580	0.054	2	108.8580	0.003	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.0550	1.194	2	109.0550	1.425	2	108.7785	0.302	563	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	H(CN[5a]HN)	109.0558	0.187	4	109.0558	0.035	4	109.0558	0.035	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]C[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	H(CN[5a]HN)	108.7972	0.605	4	108.7972	0.366	4	108.8030	0.220	6	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	H(CN[5a]HN)	108.8145	0.021	2	108.8145	0.000	2	108.8030	0.220	6	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	H(CN[5a]HN)	106.2650	3.394	2	106.2650	11.520	2	106.9090	3.472	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	H(CN[5a]HN)	107.7545	0.332	2	107.7545	0.110	2	106.9090	3.472	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|C<4>}	H(CN[5a]HN)	106.8055	1.750	2	106.8083	3.458	4	106.9090	3.472	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|H<1>}	H(CN[5a]HN)	106.8110	2.704	2	106.8083	3.458	4	106.9090	3.472	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	109.6305	0.011	2	109.6305	0.000	2	109.2945	0.151	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	108.9585	0.036	2	108.9585	0.001	2	109.2945	0.151	4	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	H(CN[5a]N[5]H)	109.5350	0.474	4	109.5350	0.224	4	109.4863	0.151	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH){1|Cl<1>}	H(CN[5a]N[5]H)	109.9200	0.129	2	109.9200	0.017	2	109.4863	0.151	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	H(CN[5a]N[5]H)	109.2490	0.010	2	109.2490	0.000	2	109.4863	0.151	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5a]N[5]H)	109.1925	0.035	2	109.1925	0.001	2	109.4863	0.151	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5a]2H)	108.7273	0.030	3	108.4035	2.802	11	108.4035	2.802	11	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	H(CN[5a]2H)	109.2915	0.030	4	108.4035	2.802	11	108.4035	2.802	11	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6]C[5a])2(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	H(CN[5a]2H)	107.2725	2.545	4	108.4035	2.802	11	108.4035	2.802	11	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH){2|H<1>,4|C<3>}	H(CN[5a]2H)	109.0983	0.011	3	109.0983	0.000	3	109.0983	0.000	3	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(CN[5a]2H)	110.6480	1.324	2	110.6480	1.752	2	109.0839	1.029	14	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(CN[5a]2H)	109.1806	0.028	8	109.1806	0.001	8	109.0839	1.029	14	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a,6a]C[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	H(CN[5a]2H)	108.1085	0.973	4	108.1085	0.947	4	109.0839	1.029	14	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	H(CN[5a]2H)	109.1990	0.024	2	109.1990	0.001	2	109.1264	0.059	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	H(CN[5a]2H)	C(N[5a]C[5a]2)2(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	H(CN[5a]2H)	109.1187	0.255	19	109.1187	0.065	19	109.1264	0.059	21	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	H(CN[5a]N[6]H)	109.0920	0.921	2	109.0920	0.848	2	109.3736	0.158	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	H(CN[5a]N[6]H)	109.4675	0.098	6	109.4675	0.010	6	109.3736	0.158	8	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	108.6163	0.090	4	108.6163	0.008	4	108.9644	0.104	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	109.2040	0.194	3	109.2040	0.038	3	108.9644	0.104	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:P-3:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	109.1890	0.122	3	109.1890	0.015	3	108.9644	0.104	10	108.8286	0.632	1656	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5a]H)	108.8060	0.004	2	108.8060	0.000	2	108.8060	0.000	2	108.8338	0.010	6	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:1:1:	4:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(N[5a]B[5a]C[5a])(COO)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]B[5a]C[5a])(COO)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	H(CN[5a]CH)	108.8477	0.126	4	108.8477	0.016	4	108.8477	0.016	4	108.8338	0.010	6	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:C-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]C)	107.5750	0.113	2	107.5750	0.013	2	107.5750	0.013	2	108.0487	0.679	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:O-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	H(CC[6a]N[5a]O)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	H(CC[6a]N[5a]O)	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	108.0487	0.679	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:2:4:	4:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	H(CN[5a]CO)	109.8720	0.000	1	109.8720	0.000	1	109.7240	0.044	2	109.1918	0.163	11	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:2:4:	4:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	H(CN[5a]CO)	109.5760	0.000	1	109.5760	0.000	1	109.7240	0.044	2	109.1918	0.163	11	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:2:4:	4:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	H(CN[5a]CS)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	H(CN[5a]CS)	109.3137	0.432	3	109.3137	0.186	3	109.1527	0.228	4	109.1918	0.163	11	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:2:4:	4:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	H(CN[5a]CS)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	H(CN[5a]CS)	108.6700	0.000	1	108.6700	0.000	1	109.1527	0.228	4	109.1918	0.163	11	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	H(CC[6a]N[5a]O)	109.0102	0.201	5	109.0102	0.040	5	109.0102	0.040	5	109.1918	0.163	11	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]CO)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.2430	0.218	5	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	H(CN[5a]CO)	109.6885	0.022	2	109.6885	0.000	2	109.6885	0.000	2	109.2430	0.218	5	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	H(CC[6a]N[5a]O)	108.6710	0.000	1	108.6710	0.000	1	108.7680	0.019	2	109.2430	0.218	5	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	H(CC[6a]N[5a]O)	108.8650	0.000	1	108.8650	0.000	1	108.7680	0.019	2	109.2430	0.218	5	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:C-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]C)	107.6650	0.000	1	107.6650	0.000	1	107.9760	0.193	2	107.8153	0.174	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:C-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5a]C)	108.2870	0.000	1	108.2870	0.000	1	107.9760	0.193	2	107.8153	0.174	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	2:2:4:	4:	N[5a]-3:C-3:N-3:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](N[5a]C[5a])2(CCHN)	H(CN[5a]CN)	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	H(CN[5a]CN)	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.8153	0.174	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	H(CN[5a]CC)	107.9970	0.000	1	107.9970	0.000	1	107.9272	0.037	5	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	H(CN[5a]CC)	107.9098	0.218	4	107.9098	0.048	4	107.9272	0.037	5	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]C)	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	H(CC[6a]N[5a]C)	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]2N[5a])	106.1070	0.000	1	106.1070	0.000	1	106.4560	0.091	3	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	H(CC[6a]2N[5a])	106.6250	0.000	1	106.6250	0.000	1	106.4560	0.091	3	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H){1|C<3>}	H(CC[6a]2N[5a])	106.6360	0.000	1	106.6360	0.000	1	106.4560	0.091	3	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	H(CN[5a]NN)	C(N[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	H(CN[5a]NN)	109.3035	0.098	2	109.3035	0.010	2	109.3035	0.010	2	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	106.6520	0.000	1	106.6520	0.000	1	106.4920	0.681	4	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	105.8885	0.441	2	105.8885	0.194	2	106.4920	0.681	4	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	H(CN[5a]N[5]C)	107.5390	0.000	1	107.5390	0.000	1	106.4920	0.681	4	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5a]N[5]2)	108.9863	1.226	3	108.9863	1.503	3	109.0857	4.665	10	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	H(CN[5a]N[5]2)	109.1283	2.547	7	109.1283	6.489	7	109.0857	4.665	10	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:S-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	H(CN[5a]N[5]S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	H(CN[5a]N[5]S)	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	H(CN[5a]2C)	107.2975	0.162	2	107.2975	0.026	2	107.2975	0.026	2	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	H(CN[5a]2C)	107.3530	0.187	2	107.3530	0.035	2	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	106.3600	0.000	1	106.3600	0.000	1	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	105.2350	0.000	1	105.2350	0.000	1	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	106.3750	0.041	2	106.3750	0.002	2	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	107.4310	0.369	4	107.4310	0.137	4	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	H(CN[5a]2C)	107.6923	2.039	6	107.6923	4.157	6	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	H(CN[5a]2C)	108.0190	0.849	2	108.0190	0.720	2	107.2759	1.814	18	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	H(CC[5a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	H(CC[5a]N[5a]2)	108.4165	0.039	2	108.4165	0.002	2	108.4165	0.002	2	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	H(CN[5a]3)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	H(CN[5a]3)	107.4200	0.029	3	107.4650	0.004	5	107.7769	0.697	29	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	H(CN[5a]3)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	H(CN[5a]3)	107.5325	0.008	2	107.4650	0.004	5	107.7769	0.697	29	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	H(CN[5a]3)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	H(CN[5a]3)	107.3960	0.000	1	107.3960	0.000	1	107.7769	0.697	29	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	H(CN[5a]3)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	H(CN[5a]3)	108.1531	1.449	8	107.8192	0.971	20	107.7769	0.697	29	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	H(CN[5a]3)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	H(CN[5a]3)	107.5967	0.453	12	107.8192	0.971	20	107.7769	0.697	29	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	H(CN[5a]3)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	H(CN[5a]3)	108.1413	0.051	3	108.1413	0.003	3	107.7769	0.697	29	107.7669	1.741	79	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	H(CC[6a]2N[5a])	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]2N[5a])	107.1060	0.000	1	107.1060	0.000	1	107.1365	0.062	4	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	H(CC[6a]2N[5a])	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	H(CC[6a]2N[5a])	107.1467	0.304	3	107.1467	0.092	3	107.1365	0.062	4	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	H(CC[6a]N[5a]C)	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(COO)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	H(CN[5a]CC)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H){2|H<1>,4|C<3>}	H(CC[6a]2N[5a])	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]2N[5a])	106.0690	0.000	1	106.0690	0.000	1	105.1480	2.945	3	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]2N[5a])	106.2070	0.000	1	106.2070	0.000	1	105.1480	2.945	3	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]2N[5a])	103.1680	0.000	1	103.1680	0.000	1	105.1480	2.945	3	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	H(CN[5a]CN)	C(N[5a]C[5a,6a]C[5a])(NC[6a]S)(CCI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	H(CN[5a]CN)	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	H(CN[5a]CN)	C(N[5a]C[5a]2)(NC[6a]S)(CCI)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	H(CN[5a]CN)	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	106.9026	2.173	13	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(CC[6a]N[5a]2)	107.0410	0.051	2	107.0410	0.003	2	107.0410	0.003	2	106.5897	0.501	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:4:2:	4:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:N[5a]-2:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	H(CC[5a]C[6a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	H(CC[5a]C[6a]N[5a])	107.0750	0.011	2	107.0750	0.000	2	107.0750	0.000	2	106.5897	0.501	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:4:2:	4:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	H(CN[5a]C[5]N[5])	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(CN[5a]C[5]N[5])	106.7810	0.079	2	106.7810	0.006	2	106.7810	0.006	2	106.5897	0.501	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	3:4:2:	4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	H(CC[5a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(CC[5a]N[5a]2)	105.4620	0.031	2	105.4620	0.001	2	105.4620	0.001	2	106.5897	0.501	8	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]N[5])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(CC[6a]N[5a]N[5])	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(CC[6a]N[5a]2)	106.7755	0.425	4	106.7755	0.181	4	107.0206	0.130	25	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(CC[6a]N[5a]2)	107.0662	0.300	4	107.0662	0.090	4	107.0206	0.130	25	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(CC[6a]N[5a]2)	107.0703	0.075	3	107.0703	0.006	3	107.0206	0.130	25	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(CC[6a]N[5a]2)	107.0669	0.393	14	107.0669	0.154	14	107.0206	0.130	25	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	H(CC[5a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(CC[5a]N[5a]2)	106.7250	0.016	2	106.7250	0.000	2	106.7250	0.000	2	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(CC[6a]N[5a]2)	106.1522	0.171	5	106.1522	0.029	5	106.9436	0.247	32	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(CC[6a]N[5a]2)	106.5820	0.000	1	107.0901	0.148	27	106.9436	0.247	32	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(CC[6a]N[5a]2)	107.2430	0.124	4	107.0901	0.148	27	106.9436	0.247	32	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(CC[6a]N[5a]2)	107.0854	0.405	22	107.0901	0.148	27	106.9436	0.247	32	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C-4:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	H(CN[5a]2N[5])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(CN[5a]2N[5])	110.0060	2.394	4	110.0060	5.732	4	110.0060	5.732	4	107.1676	0.998	64	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:C[5a]-3:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(CC[5a]C[6a]N[5a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(CC[5a]C[6a]N[5a])	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]C)	107.6580	0.000	1	107.6580	0.000	1	107.2360	0.356	2	107.2360	0.356	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]C)	106.8140	0.000	1	106.8140	0.000	1	107.2360	0.356	2	107.2360	0.356	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]C)	107.4785	0.104	2	107.4785	0.011	2	106.2387	4.617	3	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	H(CC[6a]N[5a]C)	103.7590	0.000	1	103.7590	0.000	1	106.2387	4.617	3	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]C)	107.5530	0.000	1	107.5530	0.000	1	106.9447	2.893	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	106.0810	2.359	2	106.0810	5.564	2	106.9447	2.893	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]C)	108.0640	0.000	1	108.0640	0.000	1	106.9447	2.893	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5a]C)	108.2450	0.000	1	108.2450	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	H(CC[6a]N[5a]C)	107.7865	0.373	2	107.7865	0.139	2	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	107.6470	0.000	1	107.6470	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	H(CC[6a]N[5a]C)	107.5110	0.000	1	107.5110	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	H(CC[6a]N[5a]C)	106.7490	0.185	3	106.7490	0.034	3	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	107.6290	0.000	1	107.6290	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	H(CC[6a]N[5a]C)	107.4440	0.000	1	107.4440	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	H(CC[6a]N[5a]C)	106.4690	0.000	1	106.4690	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	H(CC[6a]N[5a]C)	106.1830	0.000	1	106.1830	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	H(CC[6a]N[5a]C)	107.7140	0.000	1	107.7140	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	H(CC[6a]N[5a]C)	107.8160	0.000	1	107.8160	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]N[5a]C)	107.7340	0.000	1	107.7340	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5a]C)	107.6780	0.000	1	107.6780	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	H(CC[6a]N[5a]C)	107.2200	0.000	1	107.2200	0.000	1	107.3594	0.340	17	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:P-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	H(CC[6a]N[5a]P)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	H(CC[6a]N[5a]P)	105.4530	0.000	1	105.4530	0.000	1	105.4530	0.000	1	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	H(CN[5a]N[5]C)	106.9060	0.000	1	106.9060	0.000	1	106.3840	0.262	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	106.3450	0.559	2	106.3450	0.312	2	106.3840	0.262	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	105.9400	0.000	1	105.9400	0.000	1	106.3840	0.262	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	105.3135	0.013	2	105.3135	0.000	2	106.2946	1.867	11	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	H(CN[5a]2C)	105.7095	0.018	2	105.7095	0.000	2	106.2946	1.867	11	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	106.7350	0.000	1	106.7350	0.000	1	106.2946	1.867	11	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	105.8065	0.013	2	105.8065	0.000	2	106.2946	1.867	11	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	108.2020	0.000	2	108.2020	0.000	2	106.2946	1.867	11	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(CHHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CHHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]2C)	106.2215	2.846	2	106.2215	8.100	2	106.2946	1.867	11	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	H(CN[5a]2Si)	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	H(CN[5a]2Si)	102.6170	0.023	2	102.6170	0.001	2	106.2365	17.469	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	H(CN[5a]2Si)	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	H(CN[5a]2Si)	109.8560	0.061	2	109.8560	0.004	2	106.2365	17.469	4	106.7450	2.512	44	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	H(CC[6a]N[5a]C)	107.6517	0.262	4	107.6517	0.068	4	107.3629	0.261	8	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	H(CC[6a]N[5a]C)	107.3770	0.000	1	107.3770	0.000	1	107.3629	0.261	8	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	H(CC[6a]N[5a]C)	107.7090	0.000	1	107.7090	0.000	1	107.3629	0.261	8	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5a]C)	106.6050	0.137	2	106.6050	0.019	2	107.3629	0.261	8	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	H(CC[5a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	H(CC[5a]N[5a]C)	106.7455	0.100	2	106.7455	0.010	2	106.7455	0.010	2	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]C)	106.4795	0.080	2	106.4795	0.006	2	106.6220	0.331	7	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]C)	107.9130	0.000	1	107.9130	0.000	1	106.6220	0.331	7	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH){1|C<3>,1|S<2>}	H(CC[6a]N[5a]C)	106.3705	0.080	4	106.3705	0.006	4	106.6220	0.331	7	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	H(CN[5a]2Si)	C(N[5a]C[5a,6]C[5a])2(SiC3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	H(CN[5a]2Si)	102.9335	0.211	6	102.9335	0.045	6	102.9335	0.045	6	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	H(CN[5a]2Si)	C(N[5a]C[5a,6a]C[5a])2(SiC3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	H(CN[5a]2Si)	104.9030	0.000	1	104.9030	0.000	1	104.9030	0.000	1	105.8855	3.480	24	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCCH)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCCH)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	H(CN[5a]CH)	109.0650	0.006	2	109.0650	0.000	2	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCCO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCCO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	H(CN[5a]CH)	108.6385	0.091	4	108.6385	0.008	4	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	H(CN[5a]CH)	109.2499	0.121	16	109.2499	0.015	16	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.2049	0.286	7	108.6834	1.624	13	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.0750	1.725	6	108.6834	1.624	13	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCHO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHO)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.5230	0.000	1	109.5230	0.000	1	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.2200	0.038	2	109.2200	0.001	2	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CH3)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CH3)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.3665	0.045	2	109.3665	0.002	2	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CHHN)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CHHN)(H)2	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	H(CN[5a]CH)	109.1580	0.006	2	109.1580	0.000	2	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	H(CN[5a]CH)	108.8435	0.200	4	108.8435	0.040	4	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CSeCH)(H)2	N[5a](N[5a]C[5a])2(CCHH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CSeCH)(H)2	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.2960	0.004	2	109.2960	0.000	2	109.0113	0.503	48	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	2:2:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	N[5a](N[5a]C[5a])2(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	H(CN[5a]C[6]H)	108.9395	0.013	2	108.9395	0.000	2	108.9395	0.000	2	109.0085	0.483	50	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	H(CN[5a]CH)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	H(CN[5a]CH)	108.7210	0.030	2	108.7210	0.001	2	109.1478	0.092	9	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(CN[5a]CH)	109.3425	0.011	2	109.3425	0.000	2	109.1478	0.092	9	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	H(CN[5a]CH)	108.9760	0.031	2	108.9760	0.001	2	109.1478	0.092	9	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5a]CH)	109.3150	0.000	1	109.4170	0.008	3	109.1478	0.092	9	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.4680	0.013	2	109.4170	0.008	3	109.1478	0.092	9	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.4980	0.030	2	108.4980	0.001	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.5660	0.000	1	109.5660	0.000	1	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2170	0.106	3	109.2170	0.011	3	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.0420	0.060	6	109.0420	0.004	6	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.3742	0.266	4	109.3742	0.071	4	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3589	0.732	25	109.3688	0.462	29	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	H(CN[5a]CH)	109.4303	0.129	4	109.3688	0.462	29	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0386	0.178	44	109.0386	0.032	44	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.3110	0.021	2	109.3110	0.000	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0018	0.269	58	109.0018	0.072	58	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3260	0.016	2	109.3260	0.000	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2782	0.231	4	109.2782	0.053	4	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.6631	0.880	7	108.6631	0.775	7	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.6300	0.020	2	109.6300	0.000	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0145	0.039	2	109.0145	0.002	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2230	0.018	2	109.0740	0.030	4	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	108.9250	0.007	2	109.0740	0.030	4	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.8530	0.055	2	109.8530	0.003	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2930	0.062	2	109.2930	0.004	2	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1090	0.013	4	109.1090	0.000	4	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.3033	0.040	3	109.3033	0.002	3	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3088	0.197	8	109.3088	0.039	8	109.1174	0.169	189	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.0640	0.010	2	109.1347	0.007	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.2055	0.032	2	109.1347	0.007	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	108.5500	0.018	2	108.5500	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	108.8166	0.057	5	108.8166	0.003	5	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	108.8095	0.040	2	108.8095	0.002	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<3>,1|N<3>,1|P<4>}	H(CN[5a]CH)	107.3978	1.186	4	107.3978	1.405	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[5a]CH)	108.9630	0.000	1	108.9630	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.0544	0.268	9	109.0544	0.072	9	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCCO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.6350	0.023	2	108.6350	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	H(CN[5a]CH)	109.1050	0.129	8	109.1701	0.018	18	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.2221	0.120	10	109.1701	0.018	18	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	H(CN[5a]CH)	109.2532	0.158	4	109.2532	0.025	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.0565	0.036	4	109.0804	0.004	5	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.1760	0.000	1	109.0804	0.004	5	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.4670	0.034	2	109.0480	0.115	8	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.9083	0.259	6	109.0480	0.115	8	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CN[5a]CH)	109.6820	0.018	2	109.6820	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.1845	0.103	2	109.1845	0.011	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	H(CN[5a]CH)	109.3170	0.000	1	109.3170	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.2326	0.159	8	109.8813	2.589	12	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	113.0920	1.887	2	109.8813	2.589	12	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	109.2655	0.016	2	109.8813	2.589	12	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.6911	1.194	27	108.8712	0.761	88	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	108.9509	0.682	61	108.8712	0.761	88	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.0567	0.350	4	109.0567	0.123	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	H(CN[5a]CH)	109.0280	0.011	2	108.9950	0.005	5	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	H(CN[5a]CH)	108.9730	0.086	3	108.9950	0.005	5	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.9230	0.000	1	108.8683	0.002	3	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	108.8410	0.010	2	108.8683	0.002	3	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]Re)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]Re)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.8330	0.047	2	108.8330	0.002	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.6205	0.028	2	108.6205	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	108.9712	0.148	6	108.9712	0.022	6	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.1005	0.017	4	109.1005	0.000	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	H(CN[5a]CH)	108.8702	0.027	4	108.8702	0.001	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.8622	0.998	34	108.8622	0.997	34	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	106.4250	0.702	8	106.4250	0.493	8	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.0812	0.227	4	109.0812	0.052	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.4525	0.035	2	109.4525	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]Pt)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]Pt)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.6800	0.025	2	109.6800	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.1745	0.021	2	109.1745	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.0385	0.033	2	109.0385	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	108.6745	0.158	4	108.6745	0.025	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.1143	0.120	6	109.1143	0.014	6	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.5735	0.023	2	109.5735	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHS)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.0185	0.266	4	109.0185	0.071	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.1540	0.004	2	109.1540	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.9615	0.087	4	108.9615	0.008	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.5240	0.031	2	109.5240	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.3503	0.218	4	109.3503	0.047	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.0610	0.008	2	109.0610	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.7835	0.009	2	108.7835	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.1305	0.012	2	109.1305	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.9715	0.030	2	108.9715	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.2354	1.188	68	108.2354	1.410	68	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	108.9210	0.006	2	108.9210	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	109.0650	0.000	1	109.0650	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.0730	0.000	1	109.0730	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CN[5a]CH)	109.2180	0.201	13	109.2135	0.035	15	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|N<3>}	H(CN[5a]CH)	109.1840	0.044	2	109.2135	0.035	15	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH){2|C<4>}	H(CN[5a]CH)	109.2935	0.005	2	109.2935	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	109.3245	0.011	2	109.3245	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.8149	0.750	9	108.8149	0.562	9	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	H(CN[5a]CH)	109.2565	0.006	2	109.2295	0.001	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	H(CN[5a]CH)	109.2025	0.023	2	109.2295	0.001	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|O<2>}	H(CN[5a]CH)	109.1327	0.156	3	109.1327	0.024	3	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	109.7514	0.061	5	109.7514	0.004	5	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.5530	0.008	2	109.5530	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	H(CN[5a]CH)	109.3080	0.000	1	109.3080	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	105.3665	0.682	2	105.3665	0.466	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	H(CN[5a]CH)	109.1197	0.144	4	109.1197	0.021	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	112.4185	1.770	2	112.4185	3.133	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|I<1>}	H(CN[5a]CH)	109.6520	0.013	2	109.6340	0.001	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|N<3>}	H(CN[5a]CH)	109.6160	0.035	2	109.6340	0.001	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.3120	0.028	4	109.3120	0.001	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.3965	0.019	2	109.3965	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	108.9850	0.059	2	108.9850	0.004	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.2326	0.212	10	109.2326	0.045	10	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	108.8577	1.498	7	108.8577	2.243	7	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.6005	0.023	2	109.2493	0.059	7	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	109.1088	0.041	5	109.2493	0.059	7	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	106.3840	1.161	2	106.3840	1.348	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	108.5660	0.000	1	108.5660	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH){2|C<4>}	H(CN[5a]CH)	108.7885	0.005	2	108.7885	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	H(CN[5a]CH)	108.9537	0.160	4	108.9537	0.026	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.1160	0.031	2	109.1735	0.034	6	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.2022	0.229	4	109.1735	0.034	6	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.1600	0.042	2	109.1600	0.002	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	H(CN[5a]CH)	109.2610	0.021	3	109.2610	0.000	3	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.1757	0.298	4	109.1757	0.089	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	108.6737	1.712	10	108.8406	2.030	21	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	108.9923	1.169	11	108.8406	2.030	21	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	H(CN[5a]CH)	109.0506	0.932	8	108.7222	1.215	10	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	107.4085	0.735	2	108.7222	1.215	10	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	108.9520	0.011	2	108.9520	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.8855	0.019	2	108.8855	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.0160	0.000	1	109.0160	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	105.8060	1.971	2	105.8060	3.886	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	107.0750	3.162	2	107.0750	9.999	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	109.3605	0.022	2	109.3605	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH){1|S<2>}	H(CN[5a]CH)	109.4761	0.209	8	109.4761	0.044	8	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHP)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHP)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.0750	0.007	2	109.0750	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.1520	0.421	4	109.1520	0.177	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	109.0417	0.234	4	109.0417	0.055	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<2>}	H(CN[5a]CH)	108.6890	0.000	1	108.6890	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	108.9795	0.040	2	109.1178	0.026	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	109.2560	0.007	2	109.1178	0.026	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(CN[5a]CH)	109.6773	0.085	4	109.6773	0.007	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	H(CN[5a]CH)	109.4010	0.010	2	109.4010	0.000	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	106.6415	2.505	2	106.6415	6.276	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	108.8390	0.000	1	108.8390	0.000	1	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(CN[5a]CH)	108.6655	0.984	2	108.6655	0.967	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	109.1500	0.124	3	109.1500	0.015	3	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|Cl<1>,1|N<3>}	H(CN[5a]CH)	109.4297	0.365	4	109.2886	0.043	16	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|I<1>,1|N<3>}	H(CN[5a]CH)	109.1723	0.084	4	109.2886	0.043	16	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	H(CN[5a]CH)	109.1490	0.011	2	109.2886	0.043	16	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	H(CN[5a]CH)	109.3187	0.090	6	109.2886	0.043	16	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|H<1>}	H(CN[5a]CH)	108.7845	0.285	4	108.7845	0.081	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	H(CN[5a]CH)	109.2912	0.270	30	109.2912	0.073	30	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COPP)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(CN[5a]CH)	108.8900	0.037	2	108.8900	0.001	2	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	109.0785	0.272	4	109.0785	0.074	4	108.8987	0.944	607	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH){1|O<1>,2|C<3>}	H(CN[5a]C[5]H)	109.4460	0.057	2	109.4460	0.003	2	109.4460	0.003	2	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	H(CN[5a]C[5]H)	106.7245	2.730	2	106.7245	7.454	2	106.7245	7.454	2	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	H(CN[5a]C[5]H)	109.4425	0.023	2	109.4425	0.001	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH){3|C<3>}	H(CN[5a]C[5]H)	109.3365	0.042	2	109.3365	0.002	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	109.0657	0.243	6	108.6568	0.785	12	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	H(CN[5a]C[5]H)	108.2480	1.125	6	108.6568	0.785	12	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	109.4853	0.258	4	109.4853	0.066	4	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	H(CN[5a]C[5]H)	108.8090	0.000	1	108.8090	0.000	1	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	106.1305	1.447	2	106.1305	2.095	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	109.4569	0.656	8	109.4569	0.430	8	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH){1|C<4>,1|O<2>,2|H<1>}	H(CN[5a]C[5]H)	109.1510	0.327	4	109.1510	0.107	4	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	109.1375	0.013	2	109.1375	0.000	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	109.0930	0.007	2	109.0930	0.000	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	109.0165	0.050	2	109.0165	0.003	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	108.8760	0.035	2	108.8760	0.001	2	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	108.7090	0.385	4	108.7090	0.148	4	108.9317	0.786	47	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	H(CN[5a]C[6]H)	109.1190	0.000	1	109.1190	0.000	1	109.1293	0.024	21	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	H(CN[5a]C[6]H)	109.0610	0.016	2	109.0610	0.000	2	109.1293	0.024	21	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	H(CN[5a]C[6]H)	109.2810	0.126	4	109.2810	0.016	4	109.1293	0.024	21	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	H(CN[5a]C[6]H)	109.1389	0.178	7	109.0965	0.024	14	109.1293	0.024	21	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	H(CN[5a]C[6]H)	109.0541	0.123	7	109.0965	0.024	14	109.1293	0.024	21	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(NPdCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a]N[5a])(NPdCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	H(CN[5a]HN)	108.2330	0.044	2	108.2330	0.002	2	108.2330	0.002	2	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CHHP){1|C<4>}	H(CN[5a]HP)	110.8555	0.032	2	110.8555	0.001	2	110.8555	0.001	2	108.9553	0.767	882	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:B[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	H(CB[5,5]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	H(CB[5,5]N[5a]H)	109.2032	0.735	4	109.2032	0.540	4	109.2032	0.540	4	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	B[5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,4|B<6>}	H(CN[5a]CH)	107.9635	0.840	8	107.9635	0.706	8	108.3691	0.808	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	B[5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,5|B<6>}	H(CN[5a]CH)	109.1803	0.021	4	109.1803	0.000	4	108.3691	0.808	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH){1|S<2>,4|C<3>}	H(CN[5a]CH)	108.9910	0.049	2	108.9910	0.002	2	109.1001	0.034	28	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH){2|S<2>,4|C<3>}	H(CN[5a]CH)	109.2245	0.030	2	109.2245	0.001	2	109.1001	0.034	28	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	H(CN[5a]CH)	108.9316	0.172	8	108.9316	0.030	8	109.1001	0.034	28	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	H(CN[5a]CH)	109.1859	0.157	14	109.1859	0.025	14	109.1001	0.034	28	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]2)(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	H(CN[5a]CH)	109.1580	0.017	2	109.1580	0.000	2	109.1001	0.034	28	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	H(CN[5a]CH)	109.1202	0.126	4	109.1202	0.016	4	109.1202	0.016	4	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.8600	0.023	2	108.8600	0.001	2	109.0186	0.051	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(CN[5a]CH)	108.8180	0.028	2	108.8180	0.001	2	109.0186	0.051	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	H(CN[5a]CH)	109.0640	0.006	2	109.0640	0.000	2	109.0186	0.051	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.8595	0.026	2	108.8595	0.001	2	109.0186	0.051	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.0600	0.034	2	109.0600	0.001	2	109.0186	0.051	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	109.4500	0.011	2	109.4500	0.000	2	109.0186	0.051	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH){1|C<3>,1|S<2>}	H(CN[5a]CH)	109.0325	0.030	2	109.0325	0.001	2	109.0325	0.001	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5a]CH)	108.1700	0.020	2	108.1700	0.000	2	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Ir)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Ir)(CCHH){2|C<3>,2|C<4>}	H(CN[5a]CH)	108.3830	0.016	2	108.3830	0.000	2	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[5a]CH)	108.8250	0.011	2	108.8250	0.000	2	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[5a]CH)	108.9020	0.021	2	108.9020	0.000	2	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH){1|O<2>,3|H<1>,4|C<4>}	H(CN[5a]CH)	109.4310	0.037	2	109.4310	0.001	2	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH){2|H<1>,3|C<4>}	H(CN[5a]CH)	108.5145	0.019	2	108.5145	0.000	2	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	H(CN[5a]CH)	109.2515	0.102	4	109.2515	0.010	4	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH){1|Pt<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0254	0.208	14	109.0254	0.043	14	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	H(CN[5a]CH)	109.0705	0.008	2	109.2773	0.060	16	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pt<4>,2|C<3>}	H(CN[5a]CH)	109.2750	0.013	2	109.2773	0.060	16	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.3122	0.270	12	109.2773	0.060	16	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	H(CN[5a]CH)	109.1410	0.000	1	109.1410	0.000	1	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0663	0.121	6	109.0663	0.015	6	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Cd<6>,2|C<3>}	H(CN[5a]CH)	109.7007	0.135	4	109.4187	0.090	9	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Co<5>,2|C<3>}	H(CN[5a]CH)	109.0410	0.000	1	109.4187	0.090	9	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	H(CN[5a]CH)	109.2310	0.149	4	109.4187	0.090	9	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Rh<6>,2|C<3>}	H(CN[5a]CH)	108.4960	0.038	2	109.0387	0.182	6	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.3100	0.089	4	109.0387	0.182	6	109.0998	0.130	68	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.4710	0.168	4	108.4710	0.028	4	108.9326	0.111	135	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(CN[5a]CH)	109.0373	0.129	40	109.0373	0.017	40	108.9326	0.111	135	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]CH)	108.8747	0.458	58	108.8747	0.210	58	108.9326	0.111	135	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9633	0.146	33	108.9633	0.021	33	108.9326	0.111	135	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.7185	0.008	2	108.7185	0.000	2	108.7185	0.000	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(CN[5a]CH)	108.9062	0.096	12	108.9062	0.009	12	108.9062	0.009	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(CN[5a]CH)	108.8955	0.133	6	108.8955	0.018	6	109.0691	0.106	16	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(CN[5a]CH)	109.0083	0.211	4	108.9642	0.032	6	109.0691	0.106	16	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.8760	0.045	2	108.9642	0.032	6	109.0691	0.106	16	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	H(CN[5a]CH)	109.1735	0.019	2	109.1735	0.000	2	109.0691	0.106	16	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CN[5a]CH)	109.8005	0.032	2	109.8005	0.001	2	109.0691	0.106	16	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.7005	0.091	4	108.7005	0.008	4	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.6120	0.424	2	108.6120	0.180	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCFH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.9070	0.031	2	108.9070	0.001	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.4717	1.066	6	108.4717	1.137	6	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	H(CN[5a]CH)	108.5065	0.032	2	108.5065	0.001	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]CH)	108.6251	0.157	9	108.6251	0.025	9	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.0465	0.166	4	108.8994	0.371	166	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.5790	0.014	2	108.8994	0.371	166	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.8923	0.625	156	108.8994	0.371	166	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	H(CN[5a]CH)	109.1903	0.086	4	108.8994	0.371	166	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	109.3483	1.666	3	109.3483	2.777	3	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.9110	0.000	1	108.9110	0.000	1	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCuOO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCuOO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.6595	0.046	2	108.6595	0.002	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.9050	0.008	3	108.9050	0.000	3	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	109.0611	0.275	20	109.0611	0.075	20	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	H(CN[5a]CH)	108.9880	0.010	2	108.9880	0.000	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(CN[5a]CH)	109.2510	0.010	2	109.0135	1.064	8	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]CH)	108.7790	0.048	2	109.0135	1.064	8	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	109.0120	1.552	4	109.0135	1.064	8	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.9160	0.008	2	108.9160	0.000	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.3080	0.000	1	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.0430	0.129	6	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]CH)	108.7138	0.819	12	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.1415	0.015	2	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	H(CN[5a]CH)	108.9613	0.169	4	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.7670	0.011	2	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Br<1>,4|C<3>}	H(CN[5a]CH)	108.9460	0.000	1	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	109.0798	0.291	162	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){6|C<3>}	H(CN[5a]CH)	108.9670	0.000	1	109.0504	0.121	191	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHHI)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.6140	0.089	2	108.6140	0.008	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.9215	0.963	4	108.9215	0.928	4	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	109.0198	0.073	4	109.0198	0.005	4	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CHOO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	108.5340	0.030	2	108.5340	0.001	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]CH)	109.0425	0.013	2	109.0425	0.000	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	109.1695	0.008	2	109.1695	0.000	2	108.9610	0.262	439	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]CH)	108.2180	0.013	2	108.2180	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.4518	0.265	6	108.4518	0.070	6	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	107.6997	0.049	3	107.6997	0.002	3	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	H(CN[5a]CH)	108.6390	0.866	11	108.6390	0.750	11	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9027	0.027	4	108.9027	0.001	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.3415	0.019	2	109.3415	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2200	0.006	2	109.2200	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.0940	0.386	2	109.0940	0.149	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH){4|C<3>}	H(CN[5a]CH)	109.1615	0.039	2	109.1615	0.002	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	H(CN[5a]CH)	108.3902	0.039	4	108.3902	0.002	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	H(CN[5a]CH)	109.3945	0.008	2	109.3945	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	H(CN[5a]CH)	108.8807	0.207	14	108.8807	0.043	14	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	H(CN[5a]CH)	108.5260	1.020	5	108.5260	1.040	5	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CN[5a]CH)	108.7695	0.021	2	108.7695	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	107.9270	0.407	2	108.9214	0.361	9	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.2056	0.174	7	108.9214	0.361	9	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	109.0913	0.216	6	109.0913	0.046	6	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	H(CN[5a]CH)	109.3205	0.025	2	108.9375	0.112	14	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.8737	0.319	12	108.9375	0.112	14	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5a]CH)	108.8130	0.519	7	108.8557	0.210	9	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	109.0050	0.020	2	108.8557	0.210	9	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.0980	0.041	2	109.0980	0.002	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]CH)	109.6715	0.029	2	108.8659	0.715	37	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.8199	0.847	35	108.8659	0.715	37	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9288	0.736	17	108.9288	0.542	17	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5a]CH)	109.0360	0.021	2	109.0360	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.5230	0.000	1	108.5230	0.000	1	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0212	0.125	4	108.2977	2.161	11	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	107.8843	1.745	7	108.2977	2.161	11	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	H(CN[5a]CH)	109.0915	0.047	2	109.0915	0.002	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3563	0.554	6	109.3563	0.307	6	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1748	0.334	6	108.7573	0.704	27	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.6700	0.017	2	108.7573	0.704	27	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	108.6347	0.954	19	108.7573	0.704	27	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH){1|O<1>,2|N<3>}	H(CN[5a]CH)	109.0985	0.005	2	109.0985	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0078	0.219	4	109.0078	0.048	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0819	0.173	10	109.0819	0.030	10	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,3|C<3>}	H(CN[5a]CH)	109.2465	0.018	2	109.3495	0.015	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	H(CN[5a]CH)	109.4525	0.037	2	109.3495	0.015	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0194	0.302	47	109.0194	0.091	47	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0024	0.116	5	109.0024	0.013	5	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	109.2153	0.037	3	109.2153	0.001	3	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	H(CN[5a]CH)	109.3850	0.123	2	109.3850	0.015	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.1303	0.314	3	109.1303	0.099	3	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9718	0.074	4	108.9718	0.005	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.1850	2.106	2	108.1850	4.434	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.7970	0.020	2	108.7970	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9760	0.004	2	108.9760	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	105.8020	2.708	4	105.8020	7.335	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.3535	0.019	2	109.3535	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	109.2385	0.011	2	109.2385	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1760	0.820	12	109.1760	0.673	12	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.8400	0.034	2	108.8400	0.001	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.4905	0.097	2	108.4905	0.009	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2815	0.011	2	109.2377	0.006	3	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.1500	0.000	1	109.2377	0.006	3	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]CH)	109.0020	0.137	4	109.1031	0.021	8	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	109.2043	0.059	4	109.1031	0.021	8	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2649	0.296	12	109.1389	0.105	20	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.9499	0.279	8	109.1389	0.105	20	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.2440	0.000	1	109.2440	0.000	1	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	H(CN[5a]CH)	109.2640	0.040	2	107.7552	1.770	18	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]CH)	106.7607	0.524	6	107.7552	1.770	18	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.0501	1.389	10	107.7552	1.770	18	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.7572	1.066	18	108.7572	1.136	18	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	H(CN[5a]CH)	109.1800	0.013	2	109.1800	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.1526	0.156	7	109.1526	0.024	7	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	H(CN[5a]CH)	108.9745	0.005	2	108.9745	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	108.6285	0.006	2	108.6285	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	H(CN[5a]CH)	109.2855	0.056	2	109.2855	0.003	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.9840	0.033	2	108.9840	0.001	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0853	0.326	4	109.0853	0.106	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.3847	0.049	4	109.3847	0.002	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	109.3162	0.161	9	109.3162	0.026	9	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	108.9080	0.000	1	108.9080	0.000	1	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2198	0.026	4	109.2198	0.001	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.3898	1.187	6	108.3898	1.408	6	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	109.0750	0.011	2	109.0750	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.4707	0.065	4	108.4707	0.004	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	107.8060	2.018	5	107.8060	4.073	5	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.0589	0.176	8	109.0589	0.031	8	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.9285	0.037	2	108.9285	0.001	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.8025	0.035	2	108.8025	0.001	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.1095	0.032	4	109.1095	0.001	4	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9830	0.013	2	108.9830	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|N<2>,2|H<1>}	H(CN[5a]CH)	109.5125	0.005	2	109.2403	0.047	6	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	109.1043	0.060	4	109.2403	0.047	6	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	H(CN[5a]CH)	109.3065	0.022	2	109.3065	0.000	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	109.0620	1.095	2	109.0620	1.198	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	H(CN[5a]CH)	109.3805	0.025	2	109.3805	0.001	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	108.1324	2.303	8	108.1324	5.305	8	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH){1|H<1>,3|C<3>}	H(CN[5a]CH)	108.7265	0.078	2	108.7265	0.006	2	108.8392	0.732	482	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:Ge[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.1600	0.039	6	108.1600	0.002	6	108.1600	0.002	6	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.3680	0.030	2	108.3680	0.001	2	108.2161	0.031	14	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.1310	0.042	4	108.1310	0.002	4	108.2161	0.031	14	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.2207	0.216	8	108.2207	0.047	8	108.2161	0.031	14	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CBrHH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CBrHH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	109.1360	0.088	2	109.1360	0.008	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	108.1299	0.276	8	108.1299	0.076	8	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC3)(H)2	N[5a](C[5a]C[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC3)(H)2	N[5a](C[5a]C[5a]H)2(CCHH){2|H<1>}	H(CN[5a]CH)	108.4483	0.138	6	108.4483	0.019	6	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5a]CH)	108.8155	0.068	4	108.8155	0.005	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	H(CN[5a]CH)	108.6813	0.086	3	108.6813	0.007	3	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[5a]2)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	H(CN[5a]CH)	108.7255	0.040	2	108.7255	0.002	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	H(CN[5a]CH)	108.9170	0.007	2	108.9170	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	108.6540	0.000	1	108.6540	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	H(CN[5a]CH)	109.2545	0.104	2	109.0030	0.040	6	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5a]CH)	108.8773	0.015	4	109.0030	0.040	6	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	H(CN[5a]CH)	108.3782	0.688	8	108.3782	0.473	8	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5,5a]H)2(CCHH){2|S<2>}	H(CN[5a]CH)	108.0935	0.136	2	108.0935	0.019	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	H(CN[5a]CH)	108.9359	0.387	22	108.9359	0.150	22	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	108.7475	0.005	2	109.1216	0.039	15	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	109.2580	0.142	5	109.1216	0.039	15	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Ni<4>,1|C<3>}	H(CN[5a]CH)	108.9905	0.008	2	109.1216	0.039	15	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	109.1763	0.096	6	109.1216	0.039	15	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<2>}	H(CN[5a]CH)	109.0820	0.000	1	109.0820	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	H(CN[5a]CH)	108.5745	0.013	2	108.5745	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	H(CN[5a]CH)	108.9950	0.052	4	108.9950	0.003	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	H(CN[5a]CH)	109.2581	0.108	10	109.2581	0.012	10	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	H(CN[5a]CH)	108.9680	0.391	4	108.9680	0.153	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	108.9706	0.363	10	108.9460	0.111	12	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(CN[5a]CH)	108.8230	0.065	2	108.9460	0.111	12	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.0288	0.729	117	109.0288	0.532	117	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	H(CN[5a]CH)	108.9288	0.468	6	108.9288	0.219	6	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)2(CCHH){2|H<1>}	H(CN[5a]CH)	108.6153	0.051	4	108.6153	0.003	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	109.5680	0.028	2	109.5680	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	109.0947	0.158	12	109.0947	0.025	12	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH){1|C<3>}	H(CN[5a]CH)	108.7920	0.010	2	108.7920	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	H(CN[5a]CH)	109.1742	0.211	13	109.1742	0.045	13	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CN[5a]CH)	108.8397	0.429	3	108.8397	0.184	3	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH){1|C<4>,2|C<3>}	H(CN[5a]CH)	108.9610	0.018	2	108.9610	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH){2|C<3>}	H(CN[5a]CH)	107.9720	4.329	2	107.9720	18.739	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.2179	0.230	7	109.2179	0.053	7	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])2(CCHH){2|C<3>,2|N<2>}	H(CN[5a]CH)	109.1750	0.035	2	109.1750	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH){1|C<3>,1|N<3>}	H(CN[5a]CH)	109.2670	0.021	2	109.2670	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	H(CN[5a]CH)	108.9570	0.000	1	108.9129	0.169	13	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	H(CN[5a]CH)	108.9093	0.429	12	108.9129	0.169	13	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	H(CN[5a]CH)	109.0741	0.130	9	109.0741	0.017	9	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	109.0887	0.285	14	109.0887	0.081	14	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(CN[5a]CH)	109.2216	1.255	8	109.2216	1.576	8	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<4>}	H(CN[5a]CH)	107.4796	1.994	10	107.4796	3.978	10	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHS)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHS)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	108.9470	0.000	1	108.9470	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	H(CN[5a]CH)	109.6545	0.028	2	109.6545	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	H(CN[5a]CH)	108.9165	0.045	4	108.9165	0.002	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	H(CN[5a]CH)	109.2807	0.100	4	109.2807	0.010	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(CN[5a]CH)	109.1855	0.009	2	109.1855	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	H(CN[5a]CH)	109.0940	0.020	2	109.0940	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	H(CN[5a]CH)	109.4235	0.026	4	109.4235	0.001	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]H)2(CCHH){2|C<3>}	H(CN[5a]CH)	109.1510	0.011	2	109.1510	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	109.2430	0.000	1	109.2430	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.0017	0.097	3	109.0017	0.009	3	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	H(CN[5a]CH)	108.8115	0.022	2	108.8115	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[6a]N[5a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]C[6a]N[5a])2(CCHH){4|C<3>}	H(CN[5a]CH)	109.1480	0.011	2	109.1480	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	H(CN[5a]CH)	109.0582	0.260	17	109.0582	0.068	17	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.0900	0.616	21	109.0900	0.380	21	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CClHH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CClHH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	108.9505	0.018	2	108.9505	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CFNN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CFNN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(CN[5a]CH)	109.3970	0.000	1	109.3970	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5a]CH)	109.1730	0.004	2	109.1730	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	H(CN[5a]CH)	108.9975	0.035	2	108.9975	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a,6a]S)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a,6a]S)2(CCHH){2|C<3>}	H(CN[5a]CH)	109.1850	0.132	2	109.1850	0.017	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	H(CN[5a]CH)	109.4820	0.000	1	109.4820	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5a]CH)	109.1195	0.013	2	109.0060	0.017	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	108.8925	0.025	2	109.0060	0.017	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	109.0320	0.051	2	109.0320	0.003	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	110.1953	1.268	4	110.1953	1.608	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	H(CN[5a]CH)	109.2534	0.141	9	109.2534	0.020	9	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|C<3>}	H(CN[5a]CH)	109.2190	0.074	8	109.2160	0.004	10	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|S<2>}	H(CN[5a]CH)	109.2040	0.020	2	109.2160	0.004	10	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	108.9160	0.030	2	108.9160	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHI)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHI)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	110.3700	0.024	2	110.3700	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	108.8455	0.012	2	108.8455	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(CN[5a]CH)	109.2760	0.000	1	109.2760	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	108.8900	0.000	1	108.8900	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|C<3>}	H(CN[5a]CH)	109.2845	0.042	2	109.2845	0.002	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	H(CN[5a]CH)	108.1861	1.518	14	108.1861	2.306	14	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]2)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]2)2(CCHH){2|Br<1>,2|C<3>,2|S<2>}	H(CN[5a]CH)	109.2845	0.015	2	109.2845	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	H(CN[5a]CH)	108.9505	2.852	2	108.9505	8.133	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5a]CH)	109.4440	0.000	1	109.4440	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	H(CN[5a]CH)	109.1172	0.047	4	109.1172	0.002	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH){3|C<3>}	H(CN[5a]CH)	108.8140	0.028	2	108.8140	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	H(CN[5a]CH)	109.2835	0.011	2	109.2835	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.7600	1.118	3	109.7600	1.250	3	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	H(CN[5a]CH)	107.5872	1.688	4	107.5872	2.851	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|C<4>}	H(CN[5a]CH)	109.4170	0.006	2	107.9388	2.359	44	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	107.8684	1.537	42	107.9388	2.359	44	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CN[5a]CH)	108.4855	0.989	2	108.4855	0.979	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	H(CN[5a]CH)	109.2240	0.000	1	109.2240	0.000	1	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	107.3080	0.471	2	107.3080	0.222	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	108.7805	0.087	2	108.7805	0.008	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHP)(H)2	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHP)(H)2	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH){1|C<4>}	H(CN[5a]CH)	109.6765	0.023	2	109.6765	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHS)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHS)(H)2	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	H(CN[5a]CH)	109.7765	0.008	2	109.7765	0.000	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CHHS)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHS)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	109.6516	0.184	7	109.6516	0.034	7	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.6920	0.045	2	109.6920	0.002	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(CN[5a]CH)	108.1980	1.344	4	108.1980	1.805	4	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]C)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]C)2(CCHH){2|C<3>}	H(CN[5a]CH)	109.2612	0.147	6	109.2612	0.022	6	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(CN[5a]CH)	109.0947	0.040	3	109.0947	0.002	3	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	H(CN[5a]CH)	107.2645	2.908	2	107.2645	8.458	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]H)2(CCHH)	H(CN[5a]CH)	109.4205	0.029	2	109.4205	0.001	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CSeHH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CSeHH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(CN[5a]CH)	109.2015	0.052	2	109.2015	0.003	2	108.8901	0.808	575	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	H(CN[5a]CH)	106.0933	2.883	3	106.0933	8.311	3	107.2522	6.674	5	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	108.9905	0.032	2	108.9905	0.001	2	107.2522	6.674	5	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5a]CH)	108.0233	0.222	11	108.0233	0.049	11	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.7512	0.085	4	108.7512	0.007	4	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.8105	0.177	4	108.8105	0.031	4	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]Cd)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]Cd)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.1830	0.248	4	108.1830	0.061	4	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.1511	0.391	8	108.1511	0.153	8	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.4043	0.028	4	108.4043	0.001	4	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5a]CH)	108.5348	0.257	4	108.5348	0.066	4	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH){2|C<3>}	H(CN[5a]CH)	109.1030	0.274	4	109.1030	0.075	4	108.3863	0.184	43	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[3]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	H(CN[5a]C[3]H)	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]C[3]H)	109.7770	0.010	2	109.7770	0.000	2	109.7770	0.000	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	H(CC[3x6]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	H(CC[3x6]N[5a]H)	108.6005	0.031	4	108.6005	0.001	4	108.6005	0.001	4	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[4]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	H(CN[5a]C[4]H)	C(N[5a]C[5a,6a]C[5a])(C[4]C[4]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	H(CN[5a]C[4]H)	109.0905	0.012	2	109.0905	0.000	2	109.0905	0.000	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CN[5a]C[5]H)	108.2770	0.013	2	108.2770	0.000	2	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	H(CN[5a]C[5]H)	109.1719	0.090	10	109.1719	0.008	10	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	H(CN[5a]C[5]H)	109.6725	0.022	2	109.6725	0.000	2	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	H(CN[5a]C[5]H)	109.0658	0.049	4	109.0658	0.002	4	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,3|C<3>}	H(CN[5a]C[5]H)	109.0690	0.000	1	109.0690	0.000	1	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	H(CN[5a]C[5]H)	108.8845	0.012	2	108.8845	0.000	2	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CN[5a]C[5]H)	109.0403	0.316	4	109.0403	0.100	4	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]C[5]H)	109.2825	0.018	2	109.2825	0.000	2	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	H(CN[5a]C[5]H)	108.8356	0.179	5	108.8356	0.032	5	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	H(CN[5a]C[5]H)	109.1060	0.089	6	109.1060	0.008	6	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CN[5a]C[5]H)	108.7205	0.021	2	108.7205	0.000	2	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,2|C<3>}	H(CN[5a]C[5]H)	109.4660	0.006	2	109.4660	0.000	2	109.0627	0.089	42	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	108.9930	0.030	2	108.9930	0.001	2	108.9930	0.001	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	H(CN[5a]C[6]H)	109.3408	0.338	6	109.3408	0.114	6	109.2073	0.127	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	H(CN[5a]C[6]H)	109.0737	0.351	6	109.0737	0.123	6	109.2073	0.127	12	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(NInCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]2)(NInCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	H(CN[5a]HN)	108.6440	0.123	2	108.6440	0.015	2	108.6440	0.015	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(NPdCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN)	H(CN[5a]HN)	C(N[5a]C[5a,6a]C[5a])(NPdCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN){2|C<3>,2|H<1>}	H(CN[5a]HN)	110.0785	0.045	2	110.0785	0.002	2	110.0785	0.002	2	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	108.1625	0.652	4	108.1625	0.425	4	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2Ir)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Ir)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.9907	0.398	8	110.9907	0.158	8	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Ir)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Ir)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|H<1>,3|C<3>}	H(CN[5a]HP)	111.2905	0.082	4	111.2905	0.007	4	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Pt)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2Pt)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|H<1>,3|C<3>}	H(CN[5a]HP)	110.7590	0.000	1	110.7590	0.000	1	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	111.1257	0.160	15	111.1257	0.026	15	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PIrCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PIrCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.8927	0.297	18	110.8927	0.088	18	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PNiCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PNiCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	111.3171	0.102	32	111.3171	0.010	32	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PPdCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PPdCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.9379	0.105	27	110.9379	0.011	27	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PPtCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PPtCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.7161	0.084	7	110.7161	0.007	7	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PRhCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PRhCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.8179	0.094	7	110.8179	0.009	7	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.4133	0.242	15	110.4133	0.058	15	110.8975	0.341	138	109.0259	0.788	2065	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:4:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.4043	0.039	4	110.4043	0.002	4	110.4043	0.002	4	110.4043	0.002	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	3:5:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-5:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PC[6]2Co)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.3632	0.223	4	110.3632	0.050	4	110.3632	0.050	4	110.3632	0.050	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:1:1:	4:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	H(CN[5a]CH)	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	H(CN[5a]CH)	109.0678	0.651	4	109.0678	0.424	4	109.0678	0.424	4	109.0678	0.424	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:2:1:	2:2:4:	4:	N[5a]-3:C-4:O-2:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	H(CN[5a]CO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	H(CN[5a]CO)	108.7782	3.611	4	108.7782	13.041	4	108.7782	13.041	4	108.7782	13.041	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:2:1:	3:2:4:	4:	N[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	H(CN[5a]CO)	110.1020	0.000	1	110.1020	0.000	1	109.4710	0.796	2	109.4710	0.796	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:2:1:	3:2:4:	4:	N[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	H(CN[5a]CO)	108.8400	0.000	1	108.8400	0.000	1	109.4710	0.796	2	109.4710	0.796	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5a]CO)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.9142	1.385	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	H(CN[5a]CO)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]CO)	109.9215	0.112	2	109.9215	0.013	2	109.9215	0.013	2	108.9142	1.385	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C-4:S-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	H(CN[5a]CS)	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	H(CN[5a]CS)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	108.9142	1.385	4	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	H(CN[5a]CC)	106.3600	0.000	1	106.3600	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	108.8260	0.000	1	108.8260	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	107.7060	0.000	1	107.7060	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	H(CN[5a]CC)	108.7440	0.000	1	108.7440	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	H(CN[5a]CC)	105.2170	0.000	1	105.2170	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	H(CN[5a]CC)	108.8260	0.000	1	108.8260	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	107.3300	0.000	1	107.3300	0.000	1	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	H(CN[5a]CC)	108.7247	0.507	6	108.7247	0.257	6	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	H(CN[5a]CC)	108.9685	0.149	2	108.9685	0.022	2	108.2196	1.321	15	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:2:4:	4:	N[5a]-3:C-4:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(CC[6a]N[5a]C)	108.2470	0.989	2	108.2470	0.977	2	108.2470	0.977	2	108.2228	1.217	17	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CC)	107.6730	0.000	1	107.6730	0.000	1	107.2840	0.303	2	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	106.8950	0.000	1	106.8950	0.000	1	107.2840	0.303	2	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	107.8220	0.008	2	107.8220	0.000	2	107.0994	0.285	10	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	107.0630	0.594	3	107.0630	0.352	3	107.0994	0.285	10	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	H(CN[5a]CC)	107.0730	0.000	1	107.0730	0.000	1	107.0994	0.285	10	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(COO)(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(COO)(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	H(CN[5a]CC)	106.6280	0.337	2	106.6280	0.113	2	107.0994	0.285	10	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH){1|H<1>,1|N<3>}	H(CN[5a]CC)	106.9160	0.430	2	106.9160	0.185	2	107.0994	0.285	10	107.1302	0.266	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	4:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	H(CN[5a]CC)	107.3160	0.874	2	107.3160	0.764	2	107.3667	0.390	3	107.3667	0.390	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:3:1:	4:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	H(CN[5a]CC)	107.4680	0.000	1	107.4680	0.000	1	107.3667	0.390	3	107.3667	0.390	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	2:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	H(CN[5a]CC)	108.4830	0.000	1	108.4830	0.000	1	107.2795	2.897	2	107.2795	2.897	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	2:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(N[5a]N[5a]2)(CH3)2(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]N[5a]2)(CH3)2(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	H(CN[5a]CC)	106.0760	0.000	1	106.0760	0.000	1	107.2795	2.897	2	107.2795	2.897	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH){1|C<3>,2|C<4>,2|H<1>}	H(CN[5a]CC)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	108.4970	0.000	1	108.4970	0.000	1	107.9860	0.207	3	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	107.7305	0.149	2	107.7305	0.022	2	107.9860	0.207	3	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CC)	107.5020	0.000	1	107.5020	0.000	1	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	H(CN[5a]CC)	107.0000	1.291	2	107.0000	1.667	2	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>}	H(CN[5a]CC)	107.9250	0.000	1	107.9250	0.000	1	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	H(CN[5a]CC)	108.1755	0.101	2	108.1755	0.010	2	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	H(CN[5a]CC)	107.7527	0.397	3	107.7527	0.158	3	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	H(CN[5a]CC)	108.2510	0.000	1	108.2510	0.000	1	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH){1|N<3>}	H(CN[5a]CC)	108.2010	0.512	2	108.2010	0.262	2	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	103.3920	0.000	1	103.3920	0.000	1	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	H(CN[5a]CC)	107.2390	0.000	1	107.2390	0.000	1	107.4514	1.731	14	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH)	H(CN[5a]C[5]C)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	H(CN[5a]C[5]C)	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH)	H(CN[5a]C[5]C)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	H(CN[5a]C[5]C)	108.6120	0.000	1	108.6120	0.000	1	107.4705	4.051	4	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH)	H(CN[5a]C[5]C)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH){1|C<3>}	H(CN[5a]C[5]C)	107.9200	0.000	1	107.9200	0.000	1	107.4705	4.051	4	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH)	H(CN[5a]C[5]C)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH){1|C<3>}	H(CN[5a]C[5]C)	104.5090	0.000	1	104.5090	0.000	1	107.4705	4.051	4	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:2:4:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH)	H(CN[5a]C[5]C)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH){1|C<3>}	H(CN[5a]C[5]C)	108.8410	0.000	1	108.8410	0.000	1	107.4705	4.051	4	107.5437	1.636	23	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	H(CN[5a]CC)	107.6913	0.584	3	107.6913	0.341	3	107.6913	0.341	3	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH){1|H<1>,3|C<3>}	H(CN[5a]CC)	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	H(CN[5a]CC)	106.9875	0.264	4	106.9875	0.070	4	106.9875	0.070	4	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	H(CN[5a]CC)	107.5840	0.000	1	107.5840	0.000	1	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	H(CN[5a]CC)	106.5515	0.517	2	106.5515	0.267	2	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CC)	107.1400	0.000	1	106.5314	0.565	5	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|H<1>,3|C<3>}	H(CN[5a]CC)	106.3792	0.774	4	106.5314	0.565	5	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	H(CN[5a]CC)	107.4390	0.000	1	107.4390	0.000	1	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CC)	108.0020	0.000	1	108.3420	0.102	4	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	H(CN[5a]CC)	108.1830	0.000	1	108.3420	0.102	4	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	108.5915	0.200	2	108.3420	0.102	4	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	106.9580	0.000	1	106.9580	0.000	1	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CC)	107.0420	0.000	1	107.0420	0.000	1	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH){1|H<1>,2|C<3>}	H(CN[5a]CC)	107.0938	0.184	6	107.0938	0.034	6	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH){3|C<3>}	H(CN[5a]CC)	108.1660	0.000	1	108.1660	0.000	1	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH){4|C<3>}	H(CN[5a]CC)	107.2160	0.000	1	107.2160	0.000	1	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	H(CN[5a]CC)	107.8032	0.310	24	107.8032	0.096	24	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	H(CN[5a]CC)	107.8930	0.130	2	107.8930	0.017	2	107.5338	0.397	49	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	H(CN[5a]CC)	106.9950	0.000	1	106.9950	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	H(CN[5a]CC)	107.1040	0.154	2	107.1040	0.024	2	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CCHH)2(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)2(H)	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	H(CN[5a]CC)	106.9970	0.000	1	106.9970	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	H(CN[5a]CC)	106.8420	0.000	1	106.8420	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	H(CN[5a]CC)	106.4570	0.000	1	106.4570	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	H(CN[5a]CC)	106.4840	0.000	1	106.4833	0.020	3	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	H(CN[5a]CC)	106.4830	0.202	2	106.4833	0.020	3	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	H(CN[5a]CC)	107.7360	0.000	1	107.7360	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	H(CN[5a]CC)	107.4390	0.000	1	107.4390	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH){1|C<4>,2|C<3>}	H(CN[5a]CC)	107.5230	0.000	1	107.5230	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	H(CN[5a]CC)	106.4795	0.120	2	106.4795	0.014	2	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5a]CC)	108.1170	0.066	2	108.1170	0.004	2	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	H(CN[5a]CC)	107.8990	0.477	3	107.8990	0.228	3	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	H(CN[5a]CC)	107.8150	0.000	2	108.2908	0.690	5	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	H(CN[5a]CC)	108.6080	1.002	3	108.2908	0.690	5	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH){2|C<3>}	H(CN[5a]CC)	107.2990	0.098	2	107.2990	0.010	2	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]O)2(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]O)2(CCCH){1|C<4>,1|H<1>}	H(CN[5a]CC)	105.5990	0.000	1	105.5990	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH){1|H<1>}	H(CN[5a]CC)	107.8460	0.000	1	107.8460	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH){1|H<1>}	H(CN[5a]CC)	107.9400	0.000	1	107.9400	0.000	1	107.3784	0.673	29	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	H(CN[5a]CC)	108.3645	0.035	2	108.3645	0.001	2	108.3645	0.001	2	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH)	H(CN[5a]C[5]C)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH){1|H<1>,2|C<3>}	H(CN[5a]C[5]C)	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.4695	0.485	89	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	4:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(N[5a]B[5a]C[5a])(CH3)2(H)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH)	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CH3)2(H)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH){1|H<1>,1|N<2>,5|C<4>}	H(CN[5a]CC)	106.2110	0.000	1	106.2110	0.000	1	106.5365	0.212	2	106.5365	0.212	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:4:4:1:	4:3:4:	4:	N[5a]-3:C-4:C-4:H-1:	B[5a]-4:C[5a]-3:C-4:	C-4:	C(N[5a]B[5a]C[5a])(CH3)2(H)	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH)	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CH3)2(H)	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH){1|C<4>,1|N<2>,4|C<3>}	H(CN[5a]CC)	106.8620	0.000	1	106.8620	0.000	1	106.5365	0.212	2	106.5365	0.212	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	3:5:1:1:	3:3:4:	4:	N[5a]-3:C-5:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	H(CN[5a]CH)	109.1445	0.028	2	109.1445	0.001	2	109.1445	0.001	2	109.1445	0.001	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	H(CN[5a]C[5]H)	108.9715	0.032	2	108.9715	0.001	2	108.9794	0.031	8	109.1492	0.106	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	108.8310	0.007	2	108.8310	0.000	2	108.9794	0.031	8	109.1492	0.106	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	108.8735	0.073	2	108.8735	0.005	2	108.9794	0.031	8	109.1492	0.106	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(CN[5a]C[5]H)	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	109.2415	0.060	2	109.2415	0.004	2	108.9794	0.031	8	109.1492	0.106	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:2:4:	4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(CN[5a]C[6]H)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	H(CN[5a]C[6]H)	109.4890	0.297	4	109.4890	0.088	4	109.4890	0.088	4	109.1492	0.106	12	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:3:4:	4:	C[4,6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	H(CC[4,6]N[5a]H)	C(C[4,6]C[4,6]2C[6])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	H(CC[4,6]N[5a]H)	109.5980	0.068	4	109.5980	0.005	4	109.5980	0.005	4	109.1086	0.266	25	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH){1|C<3>}	H(CN[5a]C[5]H)	109.6019	0.101	7	109.6019	0.010	7	109.1895	0.141	17	109.1086	0.266	25	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	H(CN[5a]C[5]H)	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	H(CN[5a]C[5]H)	108.9009	0.140	10	108.9009	0.019	10	109.1895	0.141	17	109.1086	0.266	25	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	H(CN[5a]C[6]H)	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	H(CN[5a]C[6]H)	108.0225	0.013	2	108.0225	0.000	2	108.0225	0.000	2	109.1086	0.266	25	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	H(CN[5a]C[6]H)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	H(CN[5a]C[6]H)	108.5285	0.074	2	108.5285	0.006	2	108.5285	0.006	2	109.1086	0.266	25	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:1:1:	4:3:3:	4:	C[3x4,3x6]-4:N[5a]-3:H-1:H-1:	C-4:C[5a]-3:C[5a]-3:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(CC[3x4,3x6]N[5a]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5a]C[5a]2)(H)2	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(CC[3x4,3x6]N[5a]H)	109.3740	0.041	3	109.3740	0.002	3	109.3740	0.002	3	109.3740	0.002	3	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:4:1:	2:2:4:	4:	C[5]-4:N[5a]-3:C-4:H-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	N[5a](N[5a]C[5a,6a])2(CC[5]CH)	H(CN[5a]C[5]C)	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	N[5a](N[5a]C[5a,6a])2(CC[5]CH){2|C<3>}	H(CN[5a]C[5]C)	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:N[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	H(CN[5a]C[5]C)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	H(CN[5a]C[5]C)	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP2	C	N[5a]	H	6:3:1:1:	3:4:3:	4:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C-4:	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	H(CC[3,3,4,4]N[5a]H)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	H(CC[3,3,4,4]N[5a]H)	108.8830	0.033	2	108.8830	0.001	2	108.8830	0.001	2	108.8830	0.001	2	109.1051	1.108	11288	109.1051	1.108	11288
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:2:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(N[5a]C[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	H(CN[5a]HH)	109.4560	0.033	3	109.4560	0.001	3	109.4560	0.001	3	109.4560	0.001	3	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	B[5a,6]-3:N[5a]-3:C-4:	C-4:	C(N[5a]B[5a,6]N[5a])(H)3	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]B[5a,6]N[5a])(H)3	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3){1|C<3>,1|C<4>,2|N<3>}	H(CN[5a]HH)	109.4575	0.019	4	109.4575	0.000	4	109.4575	0.000	4	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	B[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3)	H(CN[5a]HH)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3){2|C<3>,2|N<3>}	H(CN[5a]HH)	109.4733	0.010	3	109.4733	0.000	3	109.4733	0.000	3	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CN[5a]HH)	109.4580	0.034	2	109.4580	0.001	2	109.4580	0.001	2	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a,6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]HH)	109.5313	0.044	3	109.5313	0.002	3	109.5313	0.002	3	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	H(CN[5a]HH)	109.4693	0.026	3	109.4693	0.001	3	109.4721	0.001	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]HH)	109.4690	0.038	7	109.4689	0.001	8	109.4721	0.001	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	H(CN[5a]HH)	109.4680	0.000	1	109.4689	0.001	8	109.4721	0.001	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	H(CN[5a]HH)	109.4890	0.027	2	109.4890	0.001	2	109.4721	0.001	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	H(CN[5a]HH)	109.4497	0.038	6	109.4628	0.002	13	109.4628	0.002	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	H(CN[5a]HH)	109.4748	0.044	6	109.4628	0.002	13	109.4628	0.002	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	H(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	H(CN[5a]HH)	109.4700	0.000	1	109.4628	0.002	13	109.4628	0.002	13	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3){1|H<1>,1|O<1>}	H(CN[5a]HH)	109.4467	0.058	3	109.4467	0.003	3	109.4467	0.003	3	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CN[5a]HH)	109.4337	0.052	3	109.4337	0.003	3	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4715	0.040	8	109.4999	0.108	224	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4554	0.041	8	109.4999	0.108	224	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.5110	0.376	134	109.4999	0.108	224	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4922	0.289	64	109.4999	0.108	224	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	H(CN[5a]HH)	109.4397	0.019	6	109.4999	0.108	224	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:1:1:1:	3:3:4:	4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	H(CN[5a]HH)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	H(CN[5a]HH)	109.4857	0.035	4	109.4999	0.108	224	109.4990	0.107	227	109.4945	0.091	268	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	H(CN[5a]CH)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	108.7327	0.156	9	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	H(CC[6a]N[5a]H)	108.9440	0.028	2	108.9440	0.001	2	108.9440	0.001	2	108.7327	0.156	9	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	108.8020	0.076	2	108.8020	0.006	2	108.8020	0.006	2	108.7327	0.156	9	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	H(CC[6a]N[5a]H)	108.4650	0.010	2	108.4650	0.000	2	108.5040	0.270	4	108.7327	0.156	9	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]N[5a]H)	107.9090	0.000	1	107.9090	0.000	1	108.5040	0.270	4	108.7327	0.156	9	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5a]H)	109.1770	0.000	1	109.1770	0.000	1	108.5040	0.270	4	108.7327	0.156	9	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	H(CC[6a]2N[5a])	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	H(CC[6a]2N[5a])	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	108.2147	2.079	3	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5a]N[5]2)	109.0310	0.399	2	109.0310	0.159	2	109.0310	0.159	2	108.2147	2.079	3	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.4425	0.076	2	108.4425	0.006	2	108.4425	0.006	2	107.7373	2.040	4	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:2:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(N[5a]C[5a]O[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a]O[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5a]CH)	107.0320	2.031	2	107.0320	4.124	2	107.0320	4.124	2	107.7373	2.040	4	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5a]CH)	108.7395	0.065	4	108.7395	0.004	4	108.7395	0.004	4	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(CN[5a]CH)	108.7808	0.052	6	108.7808	0.003	6	108.8675	0.018	11	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(CN[5a]CH)	108.8275	0.009	2	108.8275	0.000	2	108.8675	0.018	11	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|N<3>,4|C<3>}	H(CN[5a]CH)	109.0677	0.020	3	109.0677	0.000	3	108.8675	0.018	11	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.2820	0.065	2	108.2820	0.004	2	108.6142	0.822	16	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]CH)	108.6388	0.230	5	108.6388	0.053	5	108.6142	0.822	16	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CN[5a]CH)	106.9235	1.196	2	108.7018	2.193	6	108.6142	0.822	16	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	H(CN[5a]CH)	109.5910	0.129	4	108.7018	2.193	6	108.6142	0.822	16	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	H(CN[5a]CH)	108.6045	0.938	2	108.6045	0.880	2	108.6142	0.822	16	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	H(CN[5a]CH)	108.6500	0.000	1	108.6500	0.000	1	108.6142	0.822	16	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	H(CN[5a]CH)	108.9655	0.012	2	108.9655	0.000	2	108.9826	0.000	5	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.9940	0.018	3	108.9940	0.000	3	108.9826	0.000	5	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	108.0815	0.009	2	108.0815	0.000	2	107.8290	0.043	6	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CH)	107.7028	0.089	4	107.7028	0.008	4	107.8290	0.043	6	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PCoCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.8885	0.036	2	110.8885	0.001	2	110.5400	0.075	6	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:3:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	110.3658	0.057	4	110.3658	0.003	4	110.5400	0.075	6	108.8637	0.799	48	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:1:1:	3:4:4:	4:	N[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C-4:	C-4:	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP)	H(CN[5a]HP)	C(N[5a]C[5a,6a]B[5a])(PRuCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]HP)	109.0087	0.127	4	109.0087	0.016	4	109.0087	0.016	4	109.0087	0.016	4	109.3402	0.335	340	109.3402	0.335	340
490	813	951	0:SP3_SP-NON_SP3	C	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]CC)	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	109.3402	0.335	340	109.3402	0.335	340